N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C16H23N3O2 — CID 113002848

IUPACN-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-12(2)18-15(20)13-6-9-19(10-7-13)16(21)14-5-4-8-17-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyKRYGNTXHGCRPNC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds4

About N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 113002848) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID113002848
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-12(2)18-15(20)13-6-9-19(10-7-13)16(21)14-5-4-8-17-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyKRYGNTXHGCRPNC-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 146121702
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 113002848) is N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is KRYGNTXHGCRPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-12(2)18-15(20)13-6-9-19(10-7-13)16(21)14-5-4-8-17-11-14/h4-5,8,11-13H,3,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).