1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

C139H172F4N18O19 — CID 158008985

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(CN(C(=O)Nc2cc(C)ccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2cc(C)ccc2OC)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccc(C)cc2)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O4.C24H31N3O3.C23H26F3N3O3.2C23H29N3O3.C22H26FN3O3/c1-17-5-10-23(31-4)22(15-17)25-24(29)27(16-19-6-8-21(30-3)9-7-19)20-11-13-26(14-12-20)18(2)28;1-17-5-6-18(2)23(15-17)25-24(29)27(16-20-7-9-22(30-4)10-8-20)21-11-13-26(14-12-21)19(3)28;1-16(30)28-13-11-18(12-14-28)29(15-17-7-9-19(32-2)10-8-17)22(31)27-21-6-4-3-5-20(21)23(24,25)26;1-17-4-8-20(9-5-17)24-23(28)26(16-19-6-10-22(29-3)11-7-19)21-12-14-25(15-13-21)18(2)27;1-17-6-4-5-7-22(17)24-23(28)26(16-19-8-10-21(29-3)11-9-19)20-12-14-25(15-13-20)18(2)27;1-16(27)25-13-11-18(12-14-25)26(15-17-7-9-19(29-2)10-8-17)22(28)24-21-6-4-3-5-20(21)23/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29);5-10,15,21H,11-14,16H2,1-4H3,(H,25,29);3-10,18H,11-15H2,1-2H3,(H,27,31);4-11,21H,12-16H2,1-3H3,(H,24,28);4-11,20H,12-16H2,1-3H3,(H,24,28);3-10,18H,11-15H2,1-2H3,(H,24,28)
InChIKeyFEQLSBNCSGAKIM-UHFFFAOYSA-N
MW2475.00 g/mol
LogP25.15
Rot. Bonds31

About 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 158008985) has the molecular formula C139H172F4N18O19 and a molecular weight of 2475.00 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID158008985
Molecular FormulaC139H172F4N18O19
Molecular Weight2475.00 g/mol
Exact Mass2473.30
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(CN(C(=O)Nc2cc(C)ccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2cc(C)ccc2OC)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccc(C)cc2)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O4.C24H31N3O3.C23H26F3N3O3.2C23H29N3O3.C22H26FN3O3/c1-17-5-10-23(31-4)22(15-17)25-24(29)27(16-19-6-8-21(30-3)9-7-19)20-11-13-26(14-12-20)18(2)28;1-17-5-6-18(2)23(15-17)25-24(29)27(16-20-7-9-22(30-4)10-8-20)21-11-13-26(14-12-21)19(3)28;1-16(30)28-13-11-18(12-14-28)29(15-17-7-9-19(32-2)10-8-17)22(31)27-21-6-4-3-5-20(21)23(24,25)26;1-17-4-8-20(9-5-17)24-23(28)26(16-19-6-10-22(29-3)11-7-19)21-12-14-25(15-13-21)18(2)27;1-17-6-4-5-7-22(17)24-23(28)26(16-19-8-10-21(29-3)11-9-19)20-12-14-25(15-13-20)18(2)27;1-16(27)25-13-11-18(12-14-25)26(15-17-7-9-19(29-2)10-8-17)22(28)24-21-6-4-3-5-20(21)23/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29);5-10,15,21H,11-14,16H2,1-4H3,(H,25,29);3-10,18H,11-15H2,1-2H3,(H,27,31);4-11,21H,12-16H2,1-3H3,(H,24,28);4-11,20H,12-16H2,1-3H3,(H,24,28);3-10,18H,11-15H2,1-2H3,(H,24,28)
InChIKeyFEQLSBNCSGAKIM-UHFFFAOYSA-N
XLogP25.15
TPSA380.51 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002475.00
LogP ≤ 525.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(1-Acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 157922876
1-[(2S,4R)-4-(cycloheptylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(cyclopentylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-fluoroanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158004935
1-[2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-3-(4-fluorophenyl)urea;N,N-dimethyl-4-[1-(4-phenylpiperazin-1-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]aniline;N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine;molecular hydrogen
CID 158965826
7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 159509742
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-heptyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 159834495
1-(2-Methoxy-5-methylphenyl)-3-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]urea;bis(1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea)
CID 159895220
2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(4-methoxyphenyl)urea;1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(4-methoxyphenyl)urea;molecular hydrogen
CID 160344873
N-[2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-(4-fluorophenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-phenylacetamide;molecular hydrogen
CID 160749030
2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea;N-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine;molecular hydrogen
CID 161675629
1-(1-Acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea;methane
CID 161950575
2-(4-tert-butylphenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]ethanamine;2-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenyl)-N-(2-phenylethyl)ethanamine;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyphenyl)urea
CID 162157933
1-(1-Benzylpiperidin-4-yl)-3-(3,4-dimethylphenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)urea;1-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)urea;1-(4-ethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea;methane;1-(3-methoxyphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 158337499

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 158008985) is 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is COc1ccc(CN(C(=O)Nc2cc(C)ccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2cc(C)ccc2OC)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccc(C)cc2)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2C)C2CCN(C(C)=O)CC2)cc1.COc1ccc(CN(C(=O)Nc2ccccc2F)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is FEQLSBNCSGAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4.C24H31N3O3.C23H26F3N3O3.2C23H29N3O3.C22H26FN3O3/c1-17-5-10-23(31-4)22(15-17)25-24(29)27(16-19-6-8-21(30-3)9-7-19)20-11-13-26(14-12-20)18(2)28;1-17-5-6-18(2)23(15-17)25-24(29)27(16-20-7-9-22(30-4)10-8-20)21-11-13-26(14-12-21)19(3)28;1-16(30)28-13-11-18(12-14-28)29(15-17-7-9-19(32-2)10-8-17)22(31)27-21-6-4-3-5-20(21)23(24,25)26;1-17-4-8-20(9-5-17)24-23(28)26(16-19-6-10-22(29-3)11-7-19)21-12-14-25(15-13-21)18(2)27;1-17-6-4-5-7-22(17)24-23(28)26(16-19-8-10-21(29-3)11-9-19)20-12-14-25(15-13-20)18(2)27;1-16(27)25-13-11-18(12-14-25)26(15-17-7-9-19(29-2)10-8-17)22(28)24-21-6-4-3-5-20(21)23/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29);5-10,15,21H,11-14,16H2,1-4H3,(H,25,29);3-10,18H,11-15H2,1-2H3,(H,27,31);4-11,21H,12-16H2,1-3H3,(H,24,28);4-11,20H,12-16H2,1-3H3,(H,24,28);3-10,18H,11-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 2475.00 g/mol, XLogP of 25.15, 31 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-3-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)urea;1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158008985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).