2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide

C21H25N3O2 — CID 118792289

IUPAC2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
SMILESCc1cccc(-c2ccccc2C(=O)NCCCN2CCNC(=O)C2)c1
InChIInChI=1S/C21H25N3O2/c1-16-6-4-7-17(14-16)18-8-2-3-9-19(18)21(26)23-10-5-12-24-13-11-22-20(25)15-24/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyDSWOCEJGHFUPRZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.21
Rot. Bonds6

About 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide

2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide (PubChem CID 118792289) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
PubChem CID118792289
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
SMILESCc1cccc(-c2ccccc2C(=O)NCCCN2CCNC(=O)C2)c1
InChIInChI=1S/C21H25N3O2/c1-16-6-4-7-17(14-16)18-8-2-3-9-19(18)21(26)23-10-5-12-24-13-11-22-20(25)15-24/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyDSWOCEJGHFUPRZ-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
CID 118769580
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
CID 121495348
1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 77089234
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
methyl 3-methyl-6-[4-[[2-(3-methylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995688
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide (CID 118792289) is 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide is Cc1cccc(-c2ccccc2C(=O)NCCCN2CCNC(=O)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The InChIKey is DSWOCEJGHFUPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-6-4-7-17(14-16)18-8-2-3-9-19(18)21(26)23-10-5-12-24-13-11-22-20(25)15-24/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 118792289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).