4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C24H25N3O2 — CID 113111310

IUPAC4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c1-19-7-11-21(12-8-19)26-15-17-27(18-16-26)24(28)25-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyKCVYZVBAFBOMRF-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.14
Rot. Bonds4

About 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 113111310) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID113111310
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c1-19-7-11-21(12-8-19)26-15-17-27(18-16-26)24(28)25-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyKCVYZVBAFBOMRF-UHFFFAOYSA-N
XLogP5.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(4-acetamidophenyl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113951
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 113111310) is 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KCVYZVBAFBOMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-19-7-11-21(12-8-19)26-15-17-27(18-16-26)24(28)25-20-9-13-23(14-10-20)29-22-5-3-2-4-6-22/h2-14H,15-18H2,1H3,(H,25,28).
What are the key properties of 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).