1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

C65H68Cl3N11O6S3 — CID 157282533

IUPAC1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/2C23H23ClN4O2S.C19H22ClN3O2S/c1-27(19-10-14-28(15-11-19)22(29)17-8-12-25-13-9-17)23(30)26-18-4-2-16(3-5-18)20-6-7-21(24)31-20;1-27(19-10-13-28(14-11-19)22(29)17-3-2-12-25-15-17)23(30)26-18-6-4-16(5-7-18)20-8-9-21(24)31-20;1-13(24)23-11-9-16(10-12-23)22(2)19(25)21-15-5-3-14(4-6-15)17-7-8-18(20)26-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,26,30);2-9,12,15,19H,10-11,13-14H2,1H3,(H,26,30);3-8,16H,9-12H2,1-2H3,(H,21,25)
InChIKeyAZVIKSUGIBWVLN-UHFFFAOYSA-N
MW1301.89 g/mol
LogP15.01
Rot. Bonds11

About 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea

1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea (PubChem CID 157282533) has the molecular formula C65H68Cl3N11O6S3 and a molecular weight of 1301.89 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
PubChem CID157282533
Molecular FormulaC65H68Cl3N11O6S3
Molecular Weight1301.89 g/mol
Exact Mass1299.36
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/2C23H23ClN4O2S.C19H22ClN3O2S/c1-27(19-10-14-28(15-11-19)22(29)17-8-12-25-13-9-17)23(30)26-18-4-2-16(3-5-18)20-6-7-21(24)31-20;1-27(19-10-13-28(14-11-19)22(29)17-3-2-12-25-15-17)23(30)26-18-6-4-16(5-7-18)20-8-9-21(24)31-20;1-13(24)23-11-9-16(10-12-23)22(2)19(25)21-15-5-3-14(4-6-15)17-7-8-18(20)26-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,26,30);2-9,12,15,19H,10-11,13-14H2,1H3,(H,26,30);3-8,16H,9-12H2,1-2H3,(H,21,25)
InChIKeyAZVIKSUGIBWVLN-UHFFFAOYSA-N
XLogP15.01
TPSA183.73 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.89
LogP ≤ 515.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea with MolForge

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Related Compounds

3-[4-(5-Chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161362
3-[4-(5-Chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 10276002
6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 157052151
N-[2-(3-chlorophenyl)ethyl]-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 158507878
6-chloro-N-[(3R)-3-[4-[(2-fluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2-methylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(2-methylpropyl)pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 158514652
6-[4-(4-Acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide;6-chloro-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxamide
CID 158515609
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[2-methoxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-3-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 159000783
N-[(3R)-3-[4-[benzyl(pyridin-4-ylcarbamoyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;2-chloro-N-[(3R)-3-[4-[cyclohexylcarbamoyl-[(4-methyl-3-pyridinyl)methyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(4-methyl-3-pyridinyl)methyl-(propan-2-ylcarbamoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(N-isocyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[[(E)-2-cyano-2-isocyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 159063275
1-[1-(Benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea
CID 159867083
1-[1-(Benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
CID 159958602
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-3-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(1-oxidopyridin-1-ium-4-yl)methylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyridin-3-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[3-methylbut-2-enoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyrrolidin-1-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 160035719
N-[1-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide;N-[3-(4-chlorophenyl)-1-oxo-1-[4-[3-[1-(2-thiophen-2-ylethylamino)ethyl]-2-pyridinyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2-thiophen-2-ylethanamine
CID 160135176

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea (CID 157282533) is 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea is CC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)cc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)Nc1ccc(-c2ccc(Cl)s2)cc1)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea?
The InChIKey is AZVIKSUGIBWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23ClN4O2S.C19H22ClN3O2S/c1-27(19-10-14-28(15-11-19)22(29)17-8-12-25-13-9-17)23(30)26-18-4-2-16(3-5-18)20-6-7-21(24)31-20;1-27(19-10-13-28(14-11-19)22(29)17-3-2-12-25-15-17)23(30)26-18-6-4-16(5-7-18)20-8-9-21(24)31-20;1-13(24)23-11-9-16(10-12-23)22(2)19(25)21-15-5-3-14(4-6-15)17-7-8-18(20)26-17/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,26,30);2-9,12,15,19H,10-11,13-14H2,1H3,(H,26,30);3-8,16H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea?
1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea has a molecular weight of 1301.89 g/mol, XLogP of 15.01, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 157282533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).