4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide

C17H26N4O2 — CID 60612186

IUPAC4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-20-10-12-21(13-11-20)17(23)19-9-8-18-16(22)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,22)(H,19,23)
InChIKeyZBUKZSNHSLHVOM-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.69
Rot. Bonds6

About 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide

4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide (PubChem CID 60612186) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
PubChem CID60612186
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-20-10-12-21(13-11-20)17(23)19-9-8-18-16(22)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,22)(H,19,23)
InChIKeyZBUKZSNHSLHVOM-UHFFFAOYSA-N
XLogP0.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-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

4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110812994
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N,4-diethylpiperazine-1-carboxamide
CID 22309084
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide (CID 60612186) is 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCCNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide?
The InChIKey is ZBUKZSNHSLHVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-20-10-12-21(13-11-20)17(23)19-9-8-18-16(22)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide?
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 60612186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).