N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide

C26H33ClN2O2 — CID 24758408

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1
InChIInChI=1S/C26H33ClN2O2/c1-18(2)25(28-24(30)12-7-20-6-4-5-19(3)17-20)26(31)29-15-13-22(14-16-29)21-8-10-23(27)11-9-21/h4-6,8-11,17-18,22,25H,7,12-16H2,1-3H3,(H,28,30)/t25-/m1/s1
InChIKeyVLGRVUOWKUZYPP-RUZDIDTESA-N
MW441.02 g/mol
LogP5.13
Rot. Bonds7

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide (PubChem CID 24758408) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
PubChem CID24758408
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1
InChIInChI=1S/C26H33ClN2O2/c1-18(2)25(28-24(30)12-7-20-6-4-5-19(3)17-20)26(31)29-15-13-22(14-16-29)21-8-10-23(27)11-9-21/h4-6,8-11,17-18,22,25H,7,12-16H2,1-3H3,(H,28,30)/t25-/m1/s1
InChIKeyVLGRVUOWKUZYPP-RUZDIDTESA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-succinamide
CID 9941371
(S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 11603611
(2R)-2-[3-(4-chlorophenyl)propyl]-N-[(2S)-3-cyclohexyl-1-[[3-[4-(dimethylamino)butylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxybutanediamide
CID 44314931
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172
(3S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-3,5-dimethylpiperazine-1-carboxamide
CID 54587278
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56676958

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide (CID 24758408) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is VLGRVUOWKUZYPP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-18(2)25(28-24(30)12-7-20-6-4-5-19(3)17-20)26(31)29-15-13-22(14-16-29)21-8-10-23(27)11-9-21/h4-6,8-11,17-18,22,25H,7,12-16H2,1-3H3,(H,28,30)/t25-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 441.02 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 24758408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).