4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C22H28N4O2 — CID 31065316

IUPAC4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCCc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(24-20-11-5-2-6-12-20)18-25-14-16-26(17-15-25)22(28)23-13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,28)(H,24,27)
InChIKeyIEBHADVZGHHCSG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.59
Rot. Bonds7

About 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 31065316) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID31065316
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NCCCc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(24-20-11-5-2-6-12-20)18-25-14-16-26(17-15-25)22(28)23-13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,28)(H,24,27)
InChIKeyIEBHADVZGHHCSG-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)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-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
CID 55909232
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
tert-butyl 4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazine-1-carboxylate
CID 34196422
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 31065316) is 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NCCCc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is IEBHADVZGHHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(24-20-11-5-2-6-12-20)18-25-14-16-26(17-15-25)22(28)23-13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,28)(H,24,27).
What are the key properties of 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 31065316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).