1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide

C25H25ClN4O2 — CID 44567848

IUPAC1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C25H25ClN4O2/c1-18-7-5-6-10-22(18)28-24(31)29-15-16-30(23(17-29)19-8-3-2-4-9-19)25(32)27-21-13-11-20(26)12-14-21/h2-14,23H,15-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyODLNQTRNCUEWGN-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.77
Rot. Bonds3

About 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide

1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide (PubChem CID 44567848) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide
PubChem CID44567848
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C25H25ClN4O2/c1-18-7-5-6-10-22(18)28-24(31)29-15-16-30(23(17-29)19-8-3-2-4-9-19)25(32)27-21-13-11-20(26)12-14-21/h2-14,23H,15-17H2,1H3,(H,27,32)(H,28,31)
InChIKeyODLNQTRNCUEWGN-UHFFFAOYSA-N
XLogP5.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-[N-cyano-N'-[(2-methylphenyl)methyl]carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 59690699
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methyl-3-pyridinyl)carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 59689429
N-(4-chlorophenyl)-4-[N-cyano-N'-[2-[(dimethylamino)methyl]phenyl]carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 44567972
N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 59689487
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-(4-chlorophenyl)-4-[N-cyano-N'-(4-phenylbutyl)carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 59690100
4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-N-(3,4-difluorophenyl)-2-phenylpiperazine-1-carboxamide
CID 59689765
N-(4-bromophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 59690601
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
N-(4-acetylphenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-phenylpiperazine-1-carboxamide
CID 59689740

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide (CID 44567848) is 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide is Cc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide?
The InChIKey is ODLNQTRNCUEWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-18-7-5-6-10-22(18)28-24(31)29-15-16-30(23(17-29)19-8-3-2-4-9-19)25(32)27-21-13-11-20(26)12-14-21/h2-14,23H,15-17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide?
1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide has a molecular weight of 448.95 g/mol, XLogP of 5.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 44567848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).