1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide

C16H22BrN3O2 — CID 49407564

IUPAC1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-6-19-15(21)12-5-4-7-20(11-12)16(22)13-8-14(17)10-18-9-13/h8-10,12H,2-7,11H2,1H3,(H,19,21)
InChIKeyQPTNKHBWWHDPKV-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.61
Rot. Bonds5

About 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide

1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide (PubChem CID 49407564) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
PubChem CID49407564
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-6-19-15(21)12-5-4-7-20(11-12)16(22)13-8-14(17)10-18-9-13/h8-10,12H,2-7,11H2,1H3,(H,19,21)
InChIKeyQPTNKHBWWHDPKV-UHFFFAOYSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.61
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

(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 136519093
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide (CID 49407564) is 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide?
The InChIKey is QPTNKHBWWHDPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-2-3-6-19-15(21)12-5-4-7-20(11-12)16(22)13-8-14(17)10-18-9-13/h8-10,12H,2-7,11H2,1H3,(H,19,21).
What are the key properties of 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide?
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide is sourced from PubChem (CID 49407564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).