1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C23H23Cl2N3O3 — CID 55630854

IUPAC1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H23Cl2N3O3/c24-19-10-5-15(13-20(19)25)23(31)27-11-1-3-16(14-27)22(30)26-17-6-8-18(9-7-17)28-12-2-4-21(28)29/h5-10,13,16H,1-4,11-12,14H2,(H,26,30)
InChIKeyBPCLUCLVCYBEDS-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.61
Rot. Bonds4

About 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 55630854) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID55630854
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Name1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H23Cl2N3O3/c24-19-10-5-15(13-20(19)25)23(31)27-11-1-3-16(14-27)22(30)26-17-6-8-18(9-7-17)28-12-2-4-21(28)29/h5-10,13,16H,1-4,11-12,14H2,(H,26,30)
InChIKeyBPCLUCLVCYBEDS-UHFFFAOYSA-N
XLogP4.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorobenzoyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55633132
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
(3R)-1-(3,4-dichlorobenzoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
CID 52533295
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 28633861
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119237802

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 55630854) is 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is BPCLUCLVCYBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c24-19-10-5-15(13-20(19)25)23(31)27-11-1-3-16(14-27)22(30)26-17-6-8-18(9-7-17)28-12-2-4-21(28)29/h5-10,13,16H,1-4,11-12,14H2,(H,26,30).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55630854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).