4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

C20H24ClNO4 — CID 70732695

IUPAC4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)C2(CCCC2)O1
InChIInChI=1S/C20H24ClNO4/c21-16-5-1-2-6-17(16)25-14-7-11-22(12-8-14)19(24)15-13-18(23)26-20(15)9-3-4-10-20/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyYLSXUHXYDXCEET-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.59
Rot. Bonds3

About 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (PubChem CID 70732695) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
PubChem CID70732695
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)C2(CCCC2)O1
InChIInChI=1S/C20H24ClNO4/c21-16-5-1-2-6-17(16)25-14-7-11-22(12-8-14)19(24)15-13-18(23)26-20(15)9-3-4-10-20/h1-2,5-6,14-15H,3-4,7-13H2
InChIKeyYLSXUHXYDXCEET-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (CID 70732695) is 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCC(Oc3ccccc3Cl)CC2)C2(CCCC2)O1.
What is the InChIKey of 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is YLSXUHXYDXCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c21-16-5-1-2-6-17(16)25-14-7-11-22(12-8-14)19(24)15-13-18(23)26-20(15)9-3-4-10-20/h1-2,5-6,14-15H,3-4,7-13H2.
What are the key properties of 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 377.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 70732695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).