4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide

C25H26N4O2 — CID 1056962

IUPAC4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N4O2/c1-19-7-5-6-10-23(19)24(30)26-21-11-13-22(14-12-21)28-15-17-29(18-16-28)25(31)27-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyUKTKKKXZFRRERN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.60
Rot. Bonds4

About 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide

4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 1056962) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
PubChem CID1056962
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C25H26N4O2/c1-19-7-5-6-10-23(19)24(30)26-21-11-13-22(14-12-21)28-15-17-29(18-16-28)25(31)27-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyUKTKKKXZFRRERN-UHFFFAOYSA-N
XLogP4.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
methyl 2-[4-[4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666631
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 6497049
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide (CID 1056962) is 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide is Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is UKTKKKXZFRRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-7-5-6-10-23(19)24(30)26-21-11-13-22(14-12-21)28-15-17-29(18-16-28)25(31)27-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide?
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 1056962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).