2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

C15H22N2O — CID 95821462

IUPAC2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1cccc([C@H]2CCCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-7-13(10-17)14-8-4-6-12(3)16-14/h4,6,8,11,13H,5,7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyIBLQGKYLEOHFKC-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 95821462) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID95821462
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCc1cccc([C@H]2CCCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-7-13(10-17)14-8-4-6-12(3)16-14/h4,6,8,11,13H,5,7,9-10H2,1-3H3/t13-/m0/s1
InChIKeyIBLQGKYLEOHFKC-ZDUSSCGKSA-N
XLogP2.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256273
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pent-2-yn-1-one
CID 166143798
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822131
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 95821462) is 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is Cc1cccc([C@H]2CCCN(C(=O)C(C)C)C2)n1.
What is the InChIKey of 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is IBLQGKYLEOHFKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-7-13(10-17)14-8-4-6-12(3)16-14/h4,6,8,11,13H,5,7,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95821462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).