[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C19H23N3O4 — CID 7284137

IUPAC[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESC[C@@H]1CCCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1
InChIInChI=1S/C19H23N3O4/c1-14-6-5-11-21(12-14)18(24)13-26-19(25)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1
InChIKeyOWRAYTQVGFLQFB-CQSZACIVSA-N
MW357.41 g/mol
LogP1.97
Rot. Bonds4

About [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 7284137) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID7284137
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESC[C@@H]1CCCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1
InChIInChI=1S/C19H23N3O4/c1-14-6-5-11-21(12-14)18(24)13-26-19(25)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1
InChIKeyOWRAYTQVGFLQFB-CQSZACIVSA-N
XLogP1.97
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 3890210
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 17409284
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969917
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 4878205
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441601
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8024086
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55465845
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7594435
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 7284137) is [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is C[C@@H]1CCCN(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)C1.
What is the InChIKey of [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is OWRAYTQVGFLQFB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-6-5-11-21(12-14)18(24)13-26-19(25)16-9-10-17(23)22(20-16)15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1.
What are the key properties of [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 7284137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).