(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

N,N-Diethylnicotinamide
CID 5497
Daporinad
CID 6914657
4-Benzoylpyridine
CID 26731
Enisamium Iodide
CID 10089466
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
N-(4-pyridyl)benzamide
CID 78893
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
3-Acetyl-6-methylpyridine
CID 95292
2-Acetyl-4-methylpyridine
CID 564760
Bupicomide
CID 31447
Kdoam-25
CID 91810435
N,N-Diethylisonicotinamide
CID 10735

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).