(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

C19H22ClNO4 — CID 96577029

IUPAC(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C2(CCCCC2)O1
InChIInChI=1S/C19H22ClNO4/c20-15-6-2-3-7-16(15)24-13-11-21(12-13)18(23)14-10-17(22)25-19(14)8-4-1-5-9-19/h2-3,6-7,13-14H,1,4-5,8-12H2/t14-/m0/s1
InChIKeyRTVDPVBFMPJYRL-AWEZNQCLSA-N
MW363.84 g/mol
LogP3.20
Rot. Bonds3

About (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 96577029) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID96577029
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C2(CCCCC2)O1
InChIInChI=1S/C19H22ClNO4/c20-15-6-2-3-7-16(15)24-13-11-21(12-13)18(23)14-10-17(22)25-19(14)8-4-1-5-9-19/h2-3,6-7,13-14H,1,4-5,8-12H2/t14-/m0/s1
InChIKeyRTVDPVBFMPJYRL-AWEZNQCLSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125162628
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
1-[3-(2-chlorophenoxy)azetidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 118786424
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
1-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-3-oxopropyl]azepan-2-one
CID 70756717
(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 40520371

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (CID 96577029) is (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is O=C1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C2(CCCCC2)O1.
What is the InChIKey of (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is RTVDPVBFMPJYRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClNO4/c20-15-6-2-3-7-16(15)24-13-11-21(12-13)18(23)14-10-17(22)25-19(14)8-4-1-5-9-19/h2-3,6-7,13-14H,1,4-5,8-12H2/t14-/m0/s1.
What are the key properties of (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 363.84 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 96577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).