1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide

C12H16BrN3O — CID 115622557

IUPAC1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrN3O/c13-10-3-4-11(15-6-10)8-16-5-1-2-9(7-16)12(14)17/h3-4,6,9H,1-2,5,7-8H2,(H2,14,17)
InChIKeyWOPNJJSKEOYYMK-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.54
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide

1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 115622557) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID115622557
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrN3O/c13-10-3-4-11(15-6-10)8-16-5-1-2-9(7-16)12(14)17/h3-4,6,9H,1-2,5,7-8H2,(H2,14,17)
InChIKeyWOPNJJSKEOYYMK-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide (CID 115622557) is 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is WOPNJJSKEOYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-3-4-11(15-6-10)8-16-5-1-2-9(7-16)12(14)17/h3-4,6,9H,1-2,5,7-8H2,(H2,14,17).
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide?
1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 115622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).