(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

C15H22N2O — CID 167555398

IUPAC(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(C(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-11(2)14-9-13(6-7-16-14)15(18)17-8-4-5-12(3)10-17/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyCYJRSSQJKYDEDB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone

(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (PubChem CID 167555398) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
PubChem CID167555398
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(C(C)C)c2)C1
InChIInChI=1S/C15H22N2O/c1-11(2)14-9-13(6-7-16-14)15(18)17-8-4-5-12(3)10-17/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyCYJRSSQJKYDEDB-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone (CID 167555398) is (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is CC1CCCN(C(=O)c2ccnc(C(C)C)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
The InChIKey is CYJRSSQJKYDEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)14-9-13(6-7-16-14)15(18)17-8-4-5-12(3)10-17/h6-7,9,11-12H,4-5,8,10H2,1-3H3.
What are the key properties of (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 167555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).