N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide

C15H19ClN2O2 — CID 112728875

IUPACN-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCC(=O)NC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-2-13(10-4-3-5-12(16)8-10)18-15(20)11-6-7-14(19)17-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyPTAHDKVNCONSTN-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.43
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide

N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728875) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728875
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCC(=O)NC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-2-13(10-4-3-5-12(16)8-10)18-15(20)11-6-7-14(19)17-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyPTAHDKVNCONSTN-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
N-[1-(3-chlorophenyl)propyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214763
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
CID 112815872
N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75807379
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide (CID 112728875) is N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide is CCC(NC(=O)C1CCC(=O)NC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PTAHDKVNCONSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-13(10-4-3-5-12(16)8-10)18-15(20)11-6-7-14(19)17-9-11/h3-5,8,11,13H,2,6-7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide?
N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).