1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one

C15H22N2O4 — CID 70768954

IUPAC1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)cc1=O
InChIInChI=1S/C15H22N2O4/c1-3-15(21)6-8-17(10-12(15)18)14(20)11-5-7-16(4-2)13(19)9-11/h5,7,9,12,18,21H,3-4,6,8,10H2,1-2H3/t12-,15-/m1/s1
InChIKeyGFRMMJSDSLKOKG-IUODEOHRSA-N
MW294.35 g/mol
LogP0.22
Rot. Bonds3

About 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one

1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one (PubChem CID 70768954) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one
PubChem CID70768954
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one
SMILESCCn1ccc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)cc1=O
InChIInChI=1S/C15H22N2O4/c1-3-15(21)6-8-17(10-12(15)18)14(20)11-5-7-16(4-2)13(19)9-11/h5,7,9,12,18,21H,3-4,6,8,10H2,1-2H3/t12-,15-/m1/s1
InChIKeyGFRMMJSDSLKOKG-IUODEOHRSA-N
XLogP0.22
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one (CID 70768954) is 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one is CCn1ccc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)cc1=O.
What is the InChIKey of 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one?
The InChIKey is GFRMMJSDSLKOKG-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-15(21)6-8-17(10-12(15)18)14(20)11-5-7-16(4-2)13(19)9-11/h5,7,9,12,18,21H,3-4,6,8,10H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one?
1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 70768954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).