4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide

C19H21N3O2 — CID 18101727

IUPAC4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(14-15)20-19(24)22-12-10-21(11-13-22)18(23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,24)
InChIKeyLMXNZRONKDUNTL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.98
Rot. Bonds2

About 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 18101727) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID18101727
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(14-15)20-19(24)22-12-10-21(11-13-22)18(23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,24)
InChIKeyLMXNZRONKDUNTL-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
CID 122146787
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
4-(3-fluoro-4-methyl-5-nitrobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509810

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide (CID 18101727) is 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is LMXNZRONKDUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-6-5-9-17(14-15)20-19(24)22-12-10-21(11-13-22)18(23)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,24).
What are the key properties of 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide?
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18101727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).