1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C20H26ClN3O3 — CID 42906722

IUPAC1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3/c21-17-8-6-15(7-9-17)20(27)24-12-1-4-16(14-24)19(26)22-10-3-13-23-11-2-5-18(23)25/h6-9,16H,1-5,10-14H2,(H,22,26)
InChIKeyQCIRLXTUIVPZBP-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.32
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 42906722) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID42906722
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3/c21-17-8-6-15(7-9-17)20(27)24-12-1-4-16(14-24)19(26)22-10-3-13-23-11-2-5-18(23)25/h6-9,16H,1-5,10-14H2,(H,22,26)
InChIKeyQCIRLXTUIVPZBP-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 55597795
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
N-[3-[benzyl(methyl)amino]propyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 42922904
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 42906722) is 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCCN1CCCC1=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is QCIRLXTUIVPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-17-8-6-15(7-9-17)20(27)24-12-1-4-16(14-24)19(26)22-10-3-13-23-11-2-5-18(23)25/h6-9,16H,1-5,10-14H2,(H,22,26).
What are the key properties of 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 42906722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).