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

C19H27N3O3 — CID 126862694

IUPAC2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(C1CCOC1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C19H27N3O3/c23-18-11-15-3-1-2-4-17(15)20-22(18)12-14-5-8-21(9-6-14)19(24)16-7-10-25-13-16/h11,14,16H,1-10,12-13H2
InChIKeyKJFUUKQAQVAJAA-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.40
Rot. Bonds3

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

2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126862694) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126862694
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=C(C1CCOC1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1
InChIInChI=1S/C19H27N3O3/c23-18-11-15-3-1-2-4-17(15)20-22(18)12-14-5-8-21(9-6-14)19(24)16-7-10-25-13-16/h11,14,16H,1-10,12-13H2
InChIKeyKJFUUKQAQVAJAA-UHFFFAOYSA-N
XLogP1.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862738
2-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863076
2-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863077
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]oxolane-3-carboxamide
CID 122280706
N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
2-[[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862715
2-[[1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862931
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914897
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-methylthiophene-2-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862761

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126862694) is 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=C(C1CCOC1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1.
What is the InChIKey of 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is KJFUUKQAQVAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18-11-15-3-1-2-4-17(15)20-22(18)12-14-5-8-21(9-6-14)19(24)16-7-10-25-13-16/h11,14,16H,1-10,12-13H2.
What are the key properties of 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 345.44 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126862694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).