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

C19H28N4O3 — CID 126864995

IUPAC4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)OCC1=O
InChIInChI=1S/C19H28N4O3/c1-21-11-16(26-13-19(21)25)12-22-7-5-14(6-8-22)10-23-18(24)9-15-3-2-4-17(15)20-23/h9,14,16H,2-8,10-13H2,1H3
InChIKeyUIBOFWBECRIMAV-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.30
Rot. Bonds4

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

4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one (PubChem CID 126864995) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
PubChem CID126864995
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one
SMILESCN1CC(CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)OCC1=O
InChIInChI=1S/C19H28N4O3/c1-21-11-16(26-13-19(21)25)12-22-7-5-14(6-8-22)10-23-18(24)9-15-3-2-4-17(15)20-23/h9,14,16H,2-8,10-13H2,1H3
InChIKeyUIBOFWBECRIMAV-UHFFFAOYSA-N
XLogP0.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-[[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864870
4-[2-[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]ethyl]morpholin-3-one
CID 126864990
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851792
2-[[1-[(1-methyl-6-oxopiperidin-3-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928373
4-[2-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126862993
2-[[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864885
2-[[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864868
2-[[1-(oxolan-2-ylmethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928830
2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864816
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864968
2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862979
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The IUPAC name of 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) is 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one is CN1CC(CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)OCC1=O.
What is the InChIKey of 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
The InChIKey is UIBOFWBECRIMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21-11-16(26-13-19(21)25)12-22-7-5-14(6-8-22)10-23-18(24)9-15-3-2-4-17(15)20-23/h9,14,16H,2-8,10-13H2,1H3.
What are the key properties of 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one?
4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one has a molecular weight of 360.46 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidin-1-yl]methyl]morpholin-3-one is sourced from PubChem (CID 126864995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).