4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide

C14H17N3O3 — CID 110689860

IUPAC4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C14H17N3O3/c15-14(20)10-4-6-11(7-5-10)16-12(18)9-17-8-2-1-3-13(17)19/h4-7H,1-3,8-9H2,(H2,15,20)(H,16,18)
InChIKeyXYFLGKQLJGWZGK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.74
Rot. Bonds4

About 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide

4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide (PubChem CID 110689860) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
PubChem CID110689860
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN2CCCCC2=O)cc1
InChIInChI=1S/C14H17N3O3/c15-14(20)10-4-6-11(7-5-10)16-12(18)9-17-8-2-1-3-13(17)19/h4-7H,1-3,8-9H2,(H2,15,20)(H,16,18)
InChIKeyXYFLGKQLJGWZGK-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
3-[[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 119222971
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 9076240
methyl 4-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7727985
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
ethyl (E)-3-[4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]prop-2-enoate
CID 78860990
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
ethyl (E)-3-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]prop-2-enoate
CID 39978980

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide (CID 110689860) is 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN2CCCCC2=O)cc1.
What is the InChIKey of 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide?
The InChIKey is XYFLGKQLJGWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-14(20)10-4-6-11(7-5-10)16-12(18)9-17-8-2-1-3-13(17)19/h4-7H,1-3,8-9H2,(H2,15,20)(H,16,18).
What are the key properties of 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide?
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).