N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide

C17H25N3O4 — CID 119065569

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)NCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H25N3O4/c1-4-15-16(21)18-7-8-20(15)17(22)19-6-5-12-9-13(23-2)11-14(10-12)24-3/h9-11,15H,4-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyWFTIMOWVZHMKGY-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide

N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 119065569) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID119065569
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)NCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C17H25N3O4/c1-4-15-16(21)18-7-8-20(15)17(22)19-6-5-12-9-13(23-2)11-14(10-12)24-3/h9-11,15H,4-8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyWFTIMOWVZHMKGY-UHFFFAOYSA-N
XLogP1.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide 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

(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 126428815
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
(3S)-3-ethyl-4-[5-methoxy-2-(4-methoxyphenyl)benzoyl]piperazin-2-one
CID 92613425
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
(2S)-N-(2,2-diphenylpropyl)-2-ethyl-3-oxopiperazine-1-carboxamide
CID 125435737
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 77000526
4-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 63605268
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide (CID 119065569) is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide is CCC1C(=O)NCCN1C(=O)NCCc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is WFTIMOWVZHMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-4-15-16(21)18-7-8-20(15)17(22)19-6-5-12-9-13(23-2)11-14(10-12)24-3/h9-11,15H,4-8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 119065569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).