3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide

C14H19N3O3 — CID 62094346

IUPAC3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCCNC2=O)cc1N
InChIInChI=1S/C14H19N3O3/c1-2-20-12-6-5-9(8-10(12)15)13(18)17-11-4-3-7-16-14(11)19/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyKHRAQFDYIKZORW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide

3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 62094346) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID62094346
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCCNC2=O)cc1N
InChIInChI=1S/C14H19N3O3/c1-2-20-12-6-5-9(8-10(12)15)13(18)17-11-4-3-7-16-14(11)19/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyKHRAQFDYIKZORW-UHFFFAOYSA-N
XLogP0.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.68
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-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55814883
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide (CID 62094346) is 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide is CCOc1ccc(C(=O)NC2CCCNC2=O)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is KHRAQFDYIKZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-20-12-6-5-9(8-10(12)15)13(18)17-11-4-3-7-16-14(11)19/h5-6,8,11H,2-4,7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide?
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62094346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).