N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C17H27N3O — CID 3151173

IUPACN-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-10-19(2)17(21)16-7-11-20(12-8-16)14-15-6-5-9-18-13-15/h5-6,9,13,16H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyWFKVJJRECIJYRV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.55
Rot. Bonds6

About N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3151173) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3151173
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-4-10-19(2)17(21)16-7-11-20(12-8-16)14-15-6-5-9-18-13-15/h5-6,9,13,16H,3-4,7-8,10-12,14H2,1-2H3
InChIKeyWFKVJJRECIJYRV-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
N-ethyl-N-(2-methylprop-2-enyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 44828326
(3R)-N-(2-methoxyethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551862
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
1-butyl-3-(2,4-difluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]urea
CID 151280173
(4-methylpiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone;oxalic acid
CID 126468803
(3R)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95562765
N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 124818216
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3151173) is N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is WFKVJJRECIJYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-10-19(2)17(21)16-7-11-20(12-8-16)14-15-6-5-9-18-13-15/h5-6,9,13,16H,3-4,7-8,10-12,14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3151173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).