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

C22H27N3O — CID 90566899

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

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Related Compounds

4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
CID 90566886
N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
CID 47041629
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 90566711

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).