4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C28H29N3O3 — CID 154849349

IUPAC4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC(CC(=O)N2CCNC(=O)C2c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O3/c1-19-12-14-22(15-13-19)27(33)30-24(21-9-4-3-5-10-21)18-25(32)31-17-16-29-28(34)26(31)23-11-7-6-8-20(23)2/h3-15,24,26H,16-18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyRMNGWKKMFLYQLX-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.86
Rot. Bonds6

About 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 154849349) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID154849349
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC(CC(=O)N2CCNC(=O)C2c2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C28H29N3O3/c1-19-12-14-22(15-13-19)27(33)30-24(21-9-4-3-5-10-21)18-25(32)31-17-16-29-28(34)26(31)23-11-7-6-8-20(23)2/h3-15,24,26H,16-18H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyRMNGWKKMFLYQLX-UHFFFAOYSA-N
XLogP3.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
N-[3-(1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119418150
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119638842
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
1-[2-(2-bromophenyl)-3-oxopiperazin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 75396699
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxo-1-phenylpropyl]-4-methylbenzamide
CID 120809941
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 154849349) is 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is Cc1ccc(C(=O)NC(CC(=O)N2CCNC(=O)C2c2ccccc2C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is RMNGWKKMFLYQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19-12-14-22(15-13-19)27(33)30-24(21-9-4-3-5-10-21)18-25(32)31-17-16-29-28(34)26(31)23-11-7-6-8-20(23)2/h3-15,24,26H,16-18H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[2-(2-methylphenyl)-3-oxopiperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 154849349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).