4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide

C23H30N4O2 — CID 47041629

IUPAC4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-16(2)22(28)24-19-11-10-17(3)20(14-19)25-23(29)27-13-12-26(4)15-21(27)18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyWOBLBTHGKIKQTG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.11
Rot. Bonds4

About 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide

4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide (PubChem CID 47041629) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
PubChem CID47041629
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-16(2)22(28)24-19-11-10-17(3)20(14-19)25-23(29)27-13-12-26(4)15-21(27)18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyWOBLBTHGKIKQTG-UHFFFAOYSA-N
XLogP4.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 51952919
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
(2S)-4-methyl-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]-2-phenylpiperazine-1-carboxamide
CID 118769189
4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899
1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide
CID 44567848
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide (CID 47041629) is 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide?
The InChIKey is WOBLBTHGKIKQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(2)22(28)24-19-11-10-17(3)20(14-19)25-23(29)27-13-12-26(4)15-21(27)18-8-6-5-7-9-18/h5-11,14,16,21H,12-13,15H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide?
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 47041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).