2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H26N4O2 — CID 126928373

IUPAC2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCN1CC(CN2CC(Cn3nc4c(cc3=O)CCC4)C2)CCC1=O
InChIInChI=1S/C18H26N4O2/c1-20-8-13(5-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-15-3-2-4-16(15)19-22/h7,13-14H,2-6,8-12H2,1H3
InChIKeyRXXMFELTEJTOPQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.53
Rot. Bonds4

About 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126928373) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126928373
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCN1CC(CN2CC(Cn3nc4c(cc3=O)CCC4)C2)CCC1=O
InChIInChI=1S/C18H26N4O2/c1-20-8-13(5-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-15-3-2-4-16(15)19-22/h7,13-14H,2-6,8-12H2,1H3
InChIKeyRXXMFELTEJTOPQ-UHFFFAOYSA-N
XLogP0.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927503
4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
CID 126864995
2-[[1-(oxolan-2-ylmethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928830
2-[[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928268
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929839
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-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928814
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895
2-[[1-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928790
2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928620

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126928373) is 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CN1CC(CN2CC(Cn3nc4c(cc3=O)CCC4)C2)CCC1=O.
What is the InChIKey of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is RXXMFELTEJTOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-8-13(5-6-17(20)23)9-21-10-14(11-21)12-22-18(24)7-15-3-2-4-16(15)19-22/h7,13-14H,2-6,8-12H2,1H3.
What are the key properties of 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 330.43 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126928373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).