2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one

C15H20N2O2 — CID 115276097

IUPAC2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one
SMILESCC1(C)CC(=O)CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H20N2O2/c1-15(2)10-13(18)7-9-17(15)14(19)6-5-12-4-3-8-16-11-12/h3-4,8,11H,5-7,9-10H2,1-2H3
InChIKeyVYIZGPNOXWIJHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds3

About 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one

2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one (PubChem CID 115276097) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one
PubChem CID115276097
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one
SMILESCC1(C)CC(=O)CCN1C(=O)CCc1cccnc1
InChIInChI=1S/C15H20N2O2/c1-15(2)10-13(18)7-9-17(15)14(19)6-5-12-4-3-8-16-11-12/h3-4,8,11H,5-7,9-10H2,1-2H3
InChIKeyVYIZGPNOXWIJHJ-UHFFFAOYSA-N
XLogP1.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
(4aS,9aS)-1,9a-dimethyl-5-(3-pyridin-3-ylpropanoyl)-4,4a,6,7,8,9-hexahydro-3H-pyrido[3,2-b]azepin-2-one
CID 110126130
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-(4-methoxy-4-methylazepan-1-yl)-3-pyridin-3-ylpropan-1-one
CID 136539071
1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 136539354
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
1-methyl-2-oxo-8-(3-pyridin-3-ylpropanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72861938
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
CID 112534643

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one?
The IUPAC name of 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one (CID 115276097) is 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one?
The canonical SMILES for 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one is CC1(C)CC(=O)CCN1C(=O)CCc1cccnc1.
What is the InChIKey of 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one?
The InChIKey is VYIZGPNOXWIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)10-13(18)7-9-17(15)14(19)6-5-12-4-3-8-16-11-12/h3-4,8,11H,5-7,9-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one?
2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one has a molecular weight of 260.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-pyridin-3-ylpropanoyl)piperidin-4-one is sourced from PubChem (CID 115276097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).