6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C20H22N4O3 — CID 99786140

IUPAC6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C20H22N4O3/c25-17-12-15-13-23(11-9-16(15)21-22-17)20(27)19(14-6-2-1-3-7-14)24-10-5-4-8-18(24)26/h1-3,6-7,12,19H,4-5,8-11,13H2,(H,22,25)/t19-/m1/s1
InChIKeyWCCDUFUKFPBZJP-LJQANCHMSA-N
MW366.42 g/mol
LogP1.41
Rot. Bonds3

About 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 99786140) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID99786140
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C20H22N4O3/c25-17-12-15-13-23(11-9-16(15)21-22-17)20(27)19(14-6-2-1-3-7-14)24-10-5-4-8-18(24)26/h1-3,6-7,12,19H,4-5,8-11,13H2,(H,22,25)/t19-/m1/s1
InChIKeyWCCDUFUKFPBZJP-LJQANCHMSA-N
XLogP1.41
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 86798164
1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56577971
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 112708591
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826
N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
CID 56516350
6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 139007401
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 99786140) is 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is WCCDUFUKFPBZJP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-17-12-15-13-23(11-9-16(15)21-22-17)20(27)19(14-6-2-1-3-7-14)24-10-5-4-8-18(24)26/h1-3,6-7,12,19H,4-5,8-11,13H2,(H,22,25)/t19-/m1/s1.
What are the key properties of 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 366.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 99786140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).