N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

C25H25N3O2 — CID 1056092

IUPACN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N3O2/c1-19-7-5-6-10-23(19)25(30)28-17-15-27(16-18-28)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,29)
InChIKeyLTXMLQMITWTCBS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.21
Rot. Bonds4

About N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1056092) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1056092
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N3O2/c1-19-7-5-6-10-23(19)25(30)28-17-15-27(16-18-28)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,29)
InChIKeyLTXMLQMITWTCBS-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
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
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
3-iodo-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1392008
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-phenylbutanamide
CID 3393512
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
2-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4501591

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (CID 1056092) is N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is LTXMLQMITWTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19-7-5-6-10-23(19)25(30)28-17-15-27(16-18-28)22-13-11-21(12-14-22)26-24(29)20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1056092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).