N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide

C20H31N3O — CID 66989567

IUPACN-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN(CCC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-11-20(24)21-18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3,(H,21,24)
InChIKeyFNCSVJWLJOVBOM-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.96
Rot. Bonds5

About N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide

N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 66989567) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
PubChem CID66989567
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN(CCC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-11-20(24)21-18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3,(H,21,24)
InChIKeyFNCSVJWLJOVBOM-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide (CID 66989567) is N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide is Cc1ccc(N2CCN(CCC(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is FNCSVJWLJOVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-7-9-19(10-8-17)23-15-13-22(14-16-23)12-11-20(24)21-18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 66989567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).