1-(2-bromobenzoyl)piperidine-3-carboxamide

C13H15BrN2O2 — CID 24692766

IUPAC1-(2-bromobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H15BrN2O2/c14-11-6-2-1-5-10(11)13(18)16-7-3-4-9(8-16)12(15)17/h1-2,5-6,9H,3-4,7-8H2,(H2,15,17)
InChIKeyQWVBVIKXIWYQQY-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.79
Rot. Bonds2

About 1-(2-bromobenzoyl)piperidine-3-carboxamide

1-(2-bromobenzoyl)piperidine-3-carboxamide (PubChem CID 24692766) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)piperidine-3-carboxamide
PubChem CID24692766
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2-bromobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H15BrN2O2/c14-11-6-2-1-5-10(11)13(18)16-7-3-4-9(8-16)12(15)17/h1-2,5-6,9H,3-4,7-8H2,(H2,15,17)
InChIKeyQWVBVIKXIWYQQY-UHFFFAOYSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
1-(2-bromobenzoyl)piperidine-3-carbaldehyde
CID 82023409
1-(2-amino-3-bromobenzoyl)piperidine-3-carboxylic acid
CID 110451179
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(2-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146494

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-bromobenzoyl)piperidine-3-carboxamide (CID 24692766) is 1-(2-bromobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-bromobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromobenzoyl)piperidine-3-carboxamide?
The InChIKey is QWVBVIKXIWYQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-11-6-2-1-5-10(11)13(18)16-7-3-4-9(8-16)12(15)17/h1-2,5-6,9H,3-4,7-8H2,(H2,15,17).
What are the key properties of 1-(2-bromobenzoyl)piperidine-3-carboxamide?
1-(2-bromobenzoyl)piperidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 24692766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).