2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C24H29ClN2O2 — CID 24571458

IUPAC2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(CCC2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-7-9-19(10-8-17)11-12-20-13-15-27(16-14-20)24(29)18(2)26-23(28)21-5-3-4-6-22(21)25/h3-10,18,20H,11-16H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOCHZQZMBLOOPLU-SFHVURJKSA-N
MW412.96 g/mol
LogP4.64
Rot. Bonds6

About 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 24571458) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID24571458
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(CCC2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-7-9-19(10-8-17)11-12-20-13-15-27(16-14-20)24(29)18(2)26-23(28)21-5-3-4-6-22(21)25/h3-10,18,20H,11-16H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyOCHZQZMBLOOPLU-SFHVURJKSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 24575260
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperidin-1-yl]butan-2-yl]benzamide
CID 33309510
tert-butyl N-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560757
2-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 119544388
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
1-[2-[(2-chlorobenzoyl)amino]propanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653577
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 24571458) is 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is Cc1ccc(CCC2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is OCHZQZMBLOOPLU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-17-7-9-19(10-8-17)11-12-20-13-15-27(16-14-20)24(29)18(2)26-23(28)21-5-3-4-6-22(21)25/h3-10,18,20H,11-16H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 412.96 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).