N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide

C22H27N3O — CID 75865061

IUPACN-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(c2ccccc2)C2CC2)C(c2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24-14-15-25(20(16-24)17-8-4-2-5-9-17)22(26)23-21(19-12-13-19)18-10-6-3-7-11-18/h2-11,19-21H,12-16H2,1H3,(H,23,26)
InChIKeyYYQNARBNFFPPDK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.84
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide

N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 75865061) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID75865061
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(c2ccccc2)C2CC2)C(c2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24-14-15-25(20(16-24)17-8-4-2-5-9-17)22(26)23-21(19-12-13-19)18-10-6-3-7-11-18/h2-11,19-21H,12-16H2,1H3,(H,23,26)
InChIKeyYYQNARBNFFPPDK-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl(phenyl)methyl]-4-methyl-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

Related Compounds

2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2R)-4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]piperazine-1-carbothioamide
CID 98786040
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
CID 115760734
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (CID 75865061) is N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NC(c2ccccc2)C2CC2)C(c2ccccc2)C1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is YYQNARBNFFPPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24-14-15-25(20(16-24)17-8-4-2-5-9-17)22(26)23-21(19-12-13-19)18-10-6-3-7-11-18/h2-11,19-21H,12-16H2,1H3,(H,23,26).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 75865061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).