1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide

C14H16BrFN2O2 — CID 103733703

IUPAC1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C14H16BrFN2O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)12-10(15)5-2-6-11(12)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyHKOLUZUTEVSQHM-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide

1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103733703) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103733703
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1
InChIInChI=1S/C14H16BrFN2O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)12-10(15)5-2-6-11(12)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyHKOLUZUTEVSQHM-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxylate
CID 103733467
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482140
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(2-bromo-6-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115722507
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide (CID 103733703) is 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2c(F)cccc2Br)C1.
What is the InChIKey of 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is HKOLUZUTEVSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-17-13(19)9-4-3-7-18(8-9)14(20)12-10(15)5-2-6-11(12)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19).
What are the key properties of 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide?
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 343.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103733703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).