N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide

C20H28ClN3O2 — CID 24817686

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H28ClN3O2/c21-17-8-6-16(7-9-17)14-23-11-3-4-18(15-23)22-19(25)10-13-24-12-2-1-5-20(24)26/h6-9,18H,1-5,10-15H2,(H,22,25)
InChIKeyXVXAUCXSXZFAFE-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.82
Rot. Bonds6

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

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 24817686) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID24817686
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H28ClN3O2/c21-17-8-6-16(7-9-17)14-23-11-3-4-18(15-23)22-19(25)10-13-24-12-2-1-5-20(24)26/h6-9,18H,1-5,10-15H2,(H,22,25)
InChIKeyXVXAUCXSXZFAFE-UHFFFAOYSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
Uamc00039
CID 11232124
PNU-282987 free base
CID 9795278
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide (CID 24817686) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide is O=C(CCN1CCCCC1=O)NC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is XVXAUCXSXZFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c21-17-8-6-16(7-9-17)14-23-11-3-4-18(15-23)22-19(25)10-13-24-12-2-1-5-20(24)26/h6-9,18H,1-5,10-15H2,(H,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 377.92 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 24817686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).