2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one

C15H22N2O — CID 155710623

IUPAC2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
SMILESCc1ccc(N2CCC(C(=O)C(C)C)CC2)nc1
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)13-6-8-17(9-7-13)14-5-4-12(3)10-16-14/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyPEVLRUVXRSGKTI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds3

About 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one

2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one (PubChem CID 155710623) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
PubChem CID155710623
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
SMILESCc1ccc(N2CCC(C(=O)C(C)C)CC2)nc1
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)13-6-8-17(9-7-13)14-5-4-12(3)10-16-14/h4-5,10-11,13H,6-9H2,1-3H3
InChIKeyPEVLRUVXRSGKTI-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

Analyze 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 154867230
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111696767
2-cyclopropyl-2-hydroxy-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propanamide
CID 154757649
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one (CID 155710623) is 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one is Cc1ccc(N2CCC(C(=O)C(C)C)CC2)nc1.
What is the InChIKey of 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one?
The InChIKey is PEVLRUVXRSGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(18)13-6-8-17(9-7-13)14-5-4-12(3)10-16-14/h4-5,10-11,13H,6-9H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one?
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 155710623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).