2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one

C15H22N2O — CID 110256044

IUPAC2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(c2ccccn2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14(18)17-10-6-7-12(11-17)13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyIRXGAYPOGRHZNM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds1

About 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 110256044) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID110256044
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(c2ccccn2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)14(18)17-10-6-7-12(11-17)13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyIRXGAYPOGRHZNM-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

3-[2-[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-pyridinyl]benzoic acid
CID 124965145
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
2-methyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-pyrrol-1-ylpropan-1-one
CID 131901880
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
2,2-dimethyl-1-[(3S)-3-[4-(methylamino)pyrazolo[1,5-a]pyrazin-6-yl]piperidin-1-yl]propan-1-one
CID 124943603
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
2,2-dimethyl-1-[(3S)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 125000040
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one (CID 110256044) is 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCCC(c2ccccn2)C1.
What is the InChIKey of 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is IRXGAYPOGRHZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)14(18)17-10-6-7-12(11-17)13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110256044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).