2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C24H34N4O4 — CID 126862738

IUPAC2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C24H34N4O4/c29-22-14-19(16-27(22)20-7-11-32-12-8-20)24(31)26-9-5-17(6-10-26)15-28-23(30)13-18-3-1-2-4-21(18)25-28/h13,17,19-20H,1-12,14-16H2
InChIKeyPAKQMPZQVITYDZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.39
Rot. Bonds4

About 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862738) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862738
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C24H34N4O4/c29-22-14-19(16-27(22)20-7-11-32-12-8-20)24(31)26-9-5-17(6-10-26)15-28-23(30)13-18-3-1-2-4-21(18)25-28/h13,17,19-20H,1-12,14-16H2
InChIKeyPAKQMPZQVITYDZ-UHFFFAOYSA-N
XLogP1.39
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862694
2-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863076
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-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863077
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863008
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862738) is 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(C1CC(=O)N(C2CCOCC2)C1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is PAKQMPZQVITYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-22-14-19(16-27(22)20-7-11-32-12-8-20)24(31)26-9-5-17(6-10-26)15-28-23(30)13-18-3-1-2-4-21(18)25-28/h13,17,19-20H,1-12,14-16H2.
What are the key properties of 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 442.56 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).