4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

C19H24N2O4 — CID 118788436

IUPAC4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccncc3)CC2)C2(CCCC2)O1
InChIInChI=1S/C19H24N2O4/c22-17-13-16(19(25-17)7-1-2-8-19)18(23)21-11-5-15(6-12-21)24-14-3-9-20-10-4-14/h3-4,9-10,15-16H,1-2,5-8,11-13H2
InChIKeyGPEFIAQLZIWFRR-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 118788436) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID118788436
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccncc3)CC2)C2(CCCC2)O1
InChIInChI=1S/C19H24N2O4/c22-17-13-16(19(25-17)7-1-2-8-19)18(23)21-11-5-15(6-12-21)24-14-3-9-20-10-4-14/h3-4,9-10,15-16H,1-2,5-8,11-13H2
InChIKeyGPEFIAQLZIWFRR-UHFFFAOYSA-N
XLogP2.33
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131892835
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131930942
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (CID 118788436) is 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCC(Oc3ccncc3)CC2)C2(CCCC2)O1.
What is the InChIKey of 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is GPEFIAQLZIWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-13-16(19(25-17)7-1-2-8-19)18(23)21-11-5-15(6-12-21)24-14-3-9-20-10-4-14/h3-4,9-10,15-16H,1-2,5-8,11-13H2.
What are the key properties of 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 344.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 118788436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).