1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one

C16H24N2O — CID 104680044

IUPAC1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
SMILESCCNC(CN1CCCC(C)C1=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-17-15(14-9-5-4-6-10-14)12-18-11-7-8-13(2)16(18)19/h4-6,9-10,13,15,17H,3,7-8,11-12H2,1-2H3
InChIKeyNPDSQDNHWZUZNW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one

1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one (PubChem CID 104680044) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
PubChem CID104680044
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
SMILESCCNC(CN1CCCC(C)C1=O)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-17-15(14-9-5-4-6-10-14)12-18-11-7-8-13(2)16(18)19/h4-6,9-10,13,15,17H,3,7-8,11-12H2,1-2H3
InChIKeyNPDSQDNHWZUZNW-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977
1-[2-(ethylamino)-2-phenylethyl]-4-methylpiperidine-2,6-dione
CID 79507326
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-1-phenylethanamine
CID 82746306
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-1-phenylethanamine
CID 63468213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one (CID 104680044) is 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one is CCNC(CN1CCCC(C)C1=O)c1ccccc1.
What is the InChIKey of 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one?
The InChIKey is NPDSQDNHWZUZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-17-15(14-9-5-4-6-10-14)12-18-11-7-8-13(2)16(18)19/h4-6,9-10,13,15,17H,3,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one?
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).