Skip to content

4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide

C22H27N3O — CID 90566899

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1C
InChIInChI=1S/C22H27N3O/c1-16-8-9-19(14-17(16)2)23-22(26)25-13-12-24(20-10-11-20)15-21(25)18-6-4-3-5-7-18/h3-9,14,20-21H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyWTXQRXABGVXQFB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.36
Rot. Bonds3

About 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide

4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide (PubChem CID 90566899) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
PubChem CID90566899
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1C
InChIInChI=1S/C22H27N3O/c1-16-8-9-19(14-17(16)2)23-22(26)25-13-12-24(20-10-11-20)15-21(25)18-6-4-3-5-7-18/h3-9,14,20-21H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyWTXQRXABGVXQFB-UHFFFAOYSA-N
XLogP4.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide (CID 90566899) is 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1C.
What is the InChIKey of 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide?
The InChIKey is WTXQRXABGVXQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16-8-9-19(14-17(16)2)23-22(26)25-13-12-24(20-10-11-20)15-21(25)18-6-4-3-5-7-18/h3-9,14,20-21H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide?
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 90566899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.