1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

C25H27Cl2N3O3 — CID 55633097

IUPAC1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C25H27Cl2N3O3/c26-21-11-10-17(14-22(21)27)24(32)30-13-5-7-19(16-30)25(33)29-12-4-6-18(15-29)23(31)28-20-8-2-1-3-9-20/h1-3,8-11,14,18-19H,4-7,12-13,15-16H2,(H,28,31)
InChIKeyMJHUAHBUDDARMM-UHFFFAOYSA-N
MW488.42 g/mol
LogP4.72
Rot. Bonds4

About 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide

1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 55633097) has the molecular formula C25H27Cl2N3O3 and a molecular weight of 488.42 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
PubChem CID55633097
Molecular FormulaC25H27Cl2N3O3
Molecular Weight488.42 g/mol
Exact Mass487.14
IUPAC Name1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1
InChIInChI=1S/C25H27Cl2N3O3/c26-21-11-10-17(14-22(21)27)24(32)30-13-5-7-19(16-30)25(33)29-12-4-6-18(15-29)23(31)28-20-8-2-1-3-9-20/h1-3,8-11,14,18-19H,4-7,12-13,15-16H2,(H,28,31)
InChIKeyMJHUAHBUDDARMM-UHFFFAOYSA-N
XLogP4.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55630854
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
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
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide (CID 55633097) is 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1.
What is the InChIKey of 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is MJHUAHBUDDARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O3/c26-21-11-10-17(14-22(21)27)24(32)30-13-5-7-19(16-30)25(33)29-12-4-6-18(15-29)23(31)28-20-8-2-1-3-9-20/h1-3,8-11,14,18-19H,4-7,12-13,15-16H2,(H,28,31).
What are the key properties of 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide?
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 55633097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).