1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one

C17H26N2O — CID 79754766

IUPAC1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCc1ccccc1CCN1CCCC(NC(C)C)C1=O
InChIInChI=1S/C17H26N2O/c1-13(2)18-16-9-6-11-19(17(16)20)12-10-15-8-5-4-7-14(15)3/h4-5,7-8,13,16,18H,6,9-12H2,1-3H3
InChIKeyNAULLPKPUGHBPK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one

1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 79754766) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
PubChem CID79754766
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCc1ccccc1CCN1CCCC(NC(C)C)C1=O
InChIInChI=1S/C17H26N2O/c1-13(2)18-16-9-6-11-19(17(16)20)12-10-15-8-5-4-7-14(15)3/h4-5,7-8,13,16,18H,6,9-12H2,1-3H3
InChIKeyNAULLPKPUGHBPK-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
CID 79749381
2-[2-(2-methylphenyl)ethyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79925710
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
1-[2-(2-methoxyethyl)phenyl]-3-(propan-2-ylamino)piperidin-2-one
CID 102908344
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
1-[2-(2-methylphenyl)ethyl]-1,4-diazepan-2-one
CID 82289755
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
CID 70269620
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 114134726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one (CID 79754766) is 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one is Cc1ccccc1CCN1CCCC(NC(C)C)C1=O.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is NAULLPKPUGHBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)18-16-9-6-11-19(17(16)20)12-10-15-8-5-4-7-14(15)3/h4-5,7-8,13,16,18H,6,9-12H2,1-3H3.
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one?
1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 79754766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).