N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide

C15H22ClN3O — CID 133373804

IUPACN-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-3-7-18-15(20)12-5-9-19(10-6-12)13-4-8-17-14(16)11-13/h4,8,11-12H,2-3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyMLIQXLDUARPCFS-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.87
Rot. Bonds5

About N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide

N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 133373804) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID133373804
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-3-7-18-15(20)12-5-9-19(10-6-12)13-4-8-17-14(16)11-13/h4,8,11-12H,2-3,5-7,9-10H2,1H3,(H,18,20)
InChIKeyMLIQXLDUARPCFS-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67033846
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-pentyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395507
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide (CID 133373804) is N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is MLIQXLDUARPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-3-7-18-15(20)12-5-9-19(10-6-12)13-4-8-17-14(16)11-13/h4,8,11-12H,2-3,5-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide?
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133373804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).