1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one

C14H18N2O2 — CID 79548958

IUPAC1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H18N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10,13H,2-3,6,8-9H2,1H3
InChIKeyQKHHIYTZZSESHZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds3

About 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79548958) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79548958
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C14H18N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10,13H,2-3,6,8-9H2,1H3
InChIKeyQKHHIYTZZSESHZ-UHFFFAOYSA-N
XLogP2.06
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
[2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110094495
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one (CID 79548958) is 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is QKHHIYTZZSESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)9-13-6-2-3-8-16(13)14(18)12-5-4-7-15-10-12/h4-5,7,10,13H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79548958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).