N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide

C26H31ClN2O2 — CID 24758630

IUPACN-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C26H31ClN2O2/c27-23-13-11-19(12-14-23)20-15-17-29(18-16-20)26(31)24(21-7-3-1-4-8-21)28-25(30)22-9-5-2-6-10-22/h2,5-6,9-14,20-21,24H,1,3-4,7-8,15-18H2,(H,28,30)/t24-/m1/s1
InChIKeyMFMVJSBNKQSLTA-XMMPIXPASA-N
MW439.00 g/mol
LogP5.42
Rot. Bonds5

About N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide

N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide (PubChem CID 24758630) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide
PubChem CID24758630
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC NameN-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C26H31ClN2O2/c27-23-13-11-19(12-14-23)20-15-17-29(18-16-20)26(31)24(21-7-3-1-4-8-21)28-25(30)22-9-5-2-6-10-22/h2,5-6,9-14,20-21,24H,1,3-4,7-8,15-18H2,(H,28,30)/t24-/m1/s1
InChIKeyMFMVJSBNKQSLTA-XMMPIXPASA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[1-cyclopentyl-2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 78846216
4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 46020584
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016045
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24759417
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
CID 67300127
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 24759741

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide (CID 24758630) is N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide is O=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide?
The InChIKey is MFMVJSBNKQSLTA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31ClN2O2/c27-23-13-11-19(12-14-23)20-15-17-29(18-16-20)26(31)24(21-7-3-1-4-8-21)28-25(30)22-9-5-2-6-10-22/h2,5-6,9-14,20-21,24H,1,3-4,7-8,15-18H2,(H,28,30)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide?
N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide has a molecular weight of 439.00 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-1-cyclohexyl-2-oxoethyl]benzamide is sourced from PubChem (CID 24758630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).