1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one

C15H22N2O — CID 64695618

IUPAC1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
SMILESCCc1ccccc1CN1CCCC(NC)C1=O
InChIInChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-17-10-6-9-14(16-2)15(17)18/h4-5,7-8,14,16H,3,6,9-11H2,1-2H3
InChIKeyHSZRLKOLJVQSIL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one

1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one (PubChem CID 64695618) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
PubChem CID64695618
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
SMILESCCc1ccccc1CN1CCCC(NC)C1=O
InChIInChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-17-10-6-9-14(16-2)15(17)18/h4-5,7-8,14,16H,3,6,9-11H2,1-2H3
InChIKeyHSZRLKOLJVQSIL-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
CID 104679826
1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
CID 82754849
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
1-[(2-ethylphenyl)methyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64973008
3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one (CID 64695618) is 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one is CCc1ccccc1CN1CCCC(NC)C1=O.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one?
The InChIKey is HSZRLKOLJVQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-7-4-5-8-13(12)11-17-10-6-9-14(16-2)15(17)18/h4-5,7-8,14,16H,3,6,9-11H2,1-2H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one?
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 64695618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).