3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one

C14H22N2O — CID 129370336

IUPAC3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@H]2CCCCN2C(C)C)c[nH]c1=O
InChIInChI=1S/C14H22N2O/c1-10(2)16-7-5-4-6-13(16)12-8-11(3)14(17)15-9-12/h8-10,13H,4-7H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyPPJKZGUCQZIBAJ-CYBMUJFWSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds2

About 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one

3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one (PubChem CID 129370336) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one
PubChem CID129370336
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@H]2CCCCN2C(C)C)c[nH]c1=O
InChIInChI=1S/C14H22N2O/c1-10(2)16-7-5-4-6-13(16)12-8-11(3)14(17)15-9-12/h8-10,13H,4-7H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyPPJKZGUCQZIBAJ-CYBMUJFWSA-N
XLogP2.62
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
CID 129370302
5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-indole
CID 124501023
2-chloro-3-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542433
5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136804068
4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine
CID 102542989
2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542463
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde
CID 91156686
3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione
CID 102542668

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one (CID 129370336) is 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one is Cc1cc([C@H]2CCCCN2C(C)C)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one?
The InChIKey is PPJKZGUCQZIBAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16-7-5-4-6-13(16)12-8-11(3)14(17)15-9-12/h8-10,13H,4-7H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one?
3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 129370336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).