3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide

C13H17N3O3 — CID 81090911

IUPAC3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C13H17N3O3/c1-19-10-6-8(5-9(14)7-10)12(17)16-11-3-2-4-15-13(11)18/h5-7,11H,2-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyIYVSMAPKORYJKX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.29
Rot. Bonds3

About 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide

3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 81090911) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID81090911
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCCNC2=O)c1
InChIInChI=1S/C13H17N3O3/c1-19-10-6-8(5-9(14)7-10)12(17)16-11-3-2-4-15-13(11)18/h5-7,11H,2-4,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyIYVSMAPKORYJKX-UHFFFAOYSA-N
XLogP0.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide (CID 81090911) is 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide is COc1cc(N)cc(C(=O)NC2CCCNC2=O)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is IYVSMAPKORYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-10-6-8(5-9(14)7-10)12(17)16-11-3-2-4-15-13(11)18/h5-7,11H,2-4,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide?
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 263.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 81090911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).