1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide

C13H14BrClN2O2 — CID 80961813

IUPAC1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C13H14BrClN2O2/c14-10-4-3-8(6-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7H2,(H2,16,18)
InChIKeyZFUXVRJFKFZRPF-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide

1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 80961813) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID80961813
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C13H14BrClN2O2/c14-10-4-3-8(6-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7H2,(H2,16,18)
InChIKeyZFUXVRJFKFZRPF-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-bromo-3-chlorophenyl)methanone
CID 81005040
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
(4-bromo-3-chlorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 81049506

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide (CID 80961813) is 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is ZFUXVRJFKFZRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-10-4-3-8(6-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7H2,(H2,16,18).
What are the key properties of 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide?
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 345.62 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 80961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).