1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one

C15H22N2O — CID 110649410

IUPAC1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
SMILESCC1CCCN(C(=O)CC(C)c2cccnc2)C1
InChIInChI=1S/C15H22N2O/c1-12-5-4-8-17(11-12)15(18)9-13(2)14-6-3-7-16-10-14/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3
InChIKeyICXFEOWSKBCHCY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one

1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one (PubChem CID 110649410) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
PubChem CID110649410
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
SMILESCC1CCCN(C(=O)CC(C)c2cccnc2)C1
InChIInChI=1S/C15H22N2O/c1-12-5-4-8-17(11-12)15(18)9-13(2)14-6-3-7-16-10-14/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3
InChIKeyICXFEOWSKBCHCY-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 120819647
3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 56825492
(3S)-1-[(3S)-3-(methylamino)piperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124587850
3-methyl-N'-(3-methyl-2-pyridin-3-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111911277
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 110648962
(3S)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one;(3S)-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylbutan-1-one
CID 157225711
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883
3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625
[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 97095151
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one (CID 110649410) is 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one is CC1CCCN(C(=O)CC(C)c2cccnc2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
The InChIKey is ICXFEOWSKBCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-4-8-17(11-12)15(18)9-13(2)14-6-3-7-16-10-14/h3,6-7,10,12-13H,4-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one?
1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).