4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide

C23H28N4O3 — CID 34221114

IUPAC4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-3-25(4-2)23(30)27-16-14-26(15-17-27)22(29)19-10-12-20(13-11-19)24-21(28)18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyAVGVRPHVPXHQMK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.16
Rot. Bonds5

About 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide

4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 34221114) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID34221114
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-3-25(4-2)23(30)27-16-14-26(15-17-27)22(29)19-10-12-20(13-11-19)24-21(28)18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyAVGVRPHVPXHQMK-UHFFFAOYSA-N
XLogP3.16
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide (CID 34221114) is 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is AVGVRPHVPXHQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-25(4-2)23(30)27-16-14-26(15-17-27)22(29)19-10-12-20(13-11-19)24-21(28)18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,28).
What are the key properties of 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide?
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 34221114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).