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

C26H27N3O2 — CID 4500933

IUPAC2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-3-5-9-23(19)25(30)27-21-11-13-22(14-12-21)28-15-17-29(18-16-28)26(31)24-10-6-4-8-20(24)2/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeyVORMDQPSEJNTRX-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.52
Rot. Bonds4

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

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 4500933) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID4500933
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C26H27N3O2/c1-19-7-3-5-9-23(19)25(30)27-21-11-13-22(14-12-21)28-15-17-29(18-16-28)26(31)24-10-6-4-8-20(24)2/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeyVORMDQPSEJNTRX-UHFFFAOYSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.52
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

N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
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
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
3-iodo-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1392008
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 6497049
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4501591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (CID 4500933) is 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is VORMDQPSEJNTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-7-3-5-9-23(19)25(30)27-21-11-13-22(14-12-21)28-15-17-29(18-16-28)26(31)24-10-6-4-8-20(24)2/h3-14H,15-18H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 4500933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).