1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide

C16H24BrN3O — CID 133373806

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C16H24BrN3O/c1-3-4-7-18-16(21)13-5-8-20(9-6-13)15-12(2)10-14(17)11-19-15/h10-11,13H,3-9H2,1-2H3,(H,18,21)
InChIKeyCZPSDVAEIUQHFU-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.29
Rot. Bonds5

About 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide (PubChem CID 133373806) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
PubChem CID133373806
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C16H24BrN3O/c1-3-4-7-18-16(21)13-5-8-20(9-6-13)15-12(2)10-14(17)11-19-15/h10-11,13H,3-9H2,1-2H3,(H,18,21)
InChIKeyCZPSDVAEIUQHFU-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide (CID 133373806) is 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ncc(Br)cc2C)CC1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide?
The InChIKey is CZPSDVAEIUQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-4-7-18-16(21)13-5-8-20(9-6-13)15-12(2)10-14(17)11-19-15/h10-11,13H,3-9H2,1-2H3,(H,18,21).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 133373806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).