N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

C21H25ClN2O — CID 40782504

IUPACN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-5-7-18(8-6-16)21(25)23-15-20(24-13-3-2-4-14-24)17-9-11-19(22)12-10-17/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyPWCTYOKWNXKDOQ-HXUWFJFHSA-N
MW356.90 g/mol
LogP4.61
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (PubChem CID 40782504) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
PubChem CID40782504
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-16-5-7-18(8-6-16)21(25)23-15-20(24-13-3-2-4-14-24)17-9-11-19(22)12-10-17/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyPWCTYOKWNXKDOQ-HXUWFJFHSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110302906
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (CID 40782504) is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is PWCTYOKWNXKDOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-5-7-18(8-6-16)21(25)23-15-20(24-13-3-2-4-14-24)17-9-11-19(22)12-10-17/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 356.90 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 40782504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).