4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C23H31N3O2 — CID 113110129

IUPAC4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-19(2)28-22-13-7-6-12-21(22)24-23(27)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,19H,8,11,14-18H2,1-2H3,(H,24,27)
InChIKeyZTSQICUOAAYHEE-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.26
Rot. Bonds7

About 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113110129) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113110129
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-19(2)28-22-13-7-6-12-21(22)24-23(27)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,19H,8,11,14-18H2,1-2H3,(H,24,27)
InChIKeyZTSQICUOAAYHEE-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)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-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104743
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113110129) is 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1NC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is ZTSQICUOAAYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-19(2)28-22-13-7-6-12-21(22)24-23(27)26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,19H,8,11,14-18H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).