N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide

C27H29N3O2 — CID 17273882

IUPACN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H29N3O2/c1-20(2)27(32)30-18-16-29(17-19-30)25-11-7-6-10-24(25)28-26(31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,28,31)
InChIKeyOPQAKJMHEZHKLH-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.91
Rot. Bonds5

About N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide (PubChem CID 17273882) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
PubChem CID17273882
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H29N3O2/c1-20(2)27(32)30-18-16-29(17-19-30)25-11-7-6-10-24(25)28-26(31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,28,31)
InChIKeyOPQAKJMHEZHKLH-UHFFFAOYSA-N
XLogP4.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
3-methyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide
CID 40612524
4-bromo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4530285
3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-nitrobenzamide
CID 2960558
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]hexanamide
CID 40628480
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
4-butoxy-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 2958249

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide (CID 17273882) is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide is CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
The InChIKey is OPQAKJMHEZHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20(2)27(32)30-18-16-29(17-19-30)25-11-7-6-10-24(25)28-26(31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,20H,16-19H2,1-2H3,(H,28,31).
What are the key properties of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide?
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 17273882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).