1-(4-pyridin-3-ylpiperidin-1-yl)ethanone

C12H16N2O — CID 129301457

IUPAC1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H16N2O/c1-10(15)14-7-4-11(5-8-14)12-3-2-6-13-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyKGSHRLDQTHFKIA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds1

About 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone

1-(4-pyridin-3-ylpiperidin-1-yl)ethanone (PubChem CID 129301457) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
PubChem CID129301457
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H16N2O/c1-10(15)14-7-4-11(5-8-14)12-3-2-6-13-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyKGSHRLDQTHFKIA-UHFFFAOYSA-N
XLogP1.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
CID 174853959
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 121267335
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone (CID 129301457) is 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(c2cccnc2)CC1.
What is the InChIKey of 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is KGSHRLDQTHFKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(15)14-7-4-11(5-8-14)12-3-2-6-13-9-12/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 129301457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).