4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

C20H23N3O3 — CID 127044821

IUPAC4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2C)cc1
InChIInChI=1S/C20H23N3O3/c1-15-14-22(19(24)16-6-4-3-5-7-16)12-13-23(15)20(25)21-17-8-10-18(26-2)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,21,25)
InChIKeyZSFMXCOTHLFJEM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.07
Rot. Bonds3

About 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide

4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 127044821) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
PubChem CID127044821
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2C)cc1
InChIInChI=1S/C20H23N3O3/c1-15-14-22(19(24)16-6-4-3-5-7-16)12-13-23(15)20(25)21-17-8-10-18(26-2)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,21,25)
InChIKeyZSFMXCOTHLFJEM-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 2460838
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
CID 59689595
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
4-[6-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42797463
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(2R)-4-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93117186
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide (CID 127044821) is 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2C)cc1.
What is the InChIKey of 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is ZSFMXCOTHLFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-14-22(19(24)16-6-4-3-5-7-16)12-13-23(15)20(25)21-17-8-10-18(26-2)11-9-17/h3-11,15H,12-14H2,1-2H3,(H,21,25).
What are the key properties of 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide?
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 127044821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).