N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

C23H27N3O3 — CID 32620770

IUPACN,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)18-8-12-19(13-9-18)24-22(28)17-10-14-20(15-11-17)26-16-6-5-7-21(26)27/h8-15H,3-7,16H2,1-2H3,(H,24,28)
InChIKeyBMWZVYVIUKETDU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.94
Rot. Bonds6

About N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (PubChem CID 32620770) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
PubChem CID32620770
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)18-8-12-19(13-9-18)24-22(28)17-10-14-20(15-11-17)26-16-6-5-7-21(26)27/h8-15H,3-7,16H2,1-2H3,(H,24,28)
InChIKeyBMWZVYVIUKETDU-UHFFFAOYSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (CID 32620770) is N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is BMWZVYVIUKETDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-25(4-2)23(29)18-8-12-19(13-9-18)24-22(28)17-10-14-20(15-11-17)26-16-6-5-7-21(26)27/h8-15H,3-7,16H2,1-2H3,(H,24,28).
What are the key properties of N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 32620770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).