2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C20H24N4O3 — CID 126864664

IUPAC2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCn1cccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)c1=O
InChIInChI=1S/C20H24N4O3/c1-22-9-3-5-16(19(22)26)20(27)23-10-7-14(8-11-23)13-24-18(25)12-15-4-2-6-17(15)21-24/h3,5,9,12,14H,2,4,6-8,10-11,13H2,1H3
InChIKeyKOECYKAZVUJRHH-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.98
Rot. Bonds3

About 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126864664) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126864664
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCn1cccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)c1=O
InChIInChI=1S/C20H24N4O3/c1-22-9-3-5-16(19(22)26)20(27)23-10-7-14(8-11-23)13-24-18(25)12-15-4-2-6-17(15)21-24/h3,5,9,12,14H,2,4,6-8,10-11,13H2,1H3
InChIKeyKOECYKAZVUJRHH-UHFFFAOYSA-N
XLogP0.98
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

3-methyl-5-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126862744
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
2-[[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864694
2-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126854405
2-[[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862761
2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864756
2-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862679
N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704
2-[[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862715
2-[[1-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862891
2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
2-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862756

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126864664) is 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cn1cccc(C(=O)N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)c1=O.
What is the InChIKey of 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is KOECYKAZVUJRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-9-3-5-16(19(22)26)20(27)23-10-7-14(8-11-23)13-24-18(25)12-15-4-2-6-17(15)21-24/h3,5,9,12,14H,2,4,6-8,10-11,13H2,1H3.
What are the key properties of 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 368.44 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126864664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).