3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one

C20H26ClNO3 — CID 124797121

IUPAC3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CC2(C[C@@H](OCC3CC3)CCO2)C1
InChIInChI=1S/C20H26ClNO3/c21-17-6-3-15(4-7-17)5-8-19(23)22-13-20(14-22)11-18(9-10-25-20)24-12-16-1-2-16/h3-4,6-7,16,18H,1-2,5,8-14H2/t18-/m0/s1
InChIKeyZPXYLYOZYLLQGX-SFHVURJKSA-N
MW363.89 g/mol
LogP3.46
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one

3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one (PubChem CID 124797121) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
PubChem CID124797121
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CC2(C[C@@H](OCC3CC3)CCO2)C1
InChIInChI=1S/C20H26ClNO3/c21-17-6-3-15(4-7-17)5-8-19(23)22-13-20(14-22)11-18(9-10-25-20)24-12-16-1-2-16/h3-4,6-7,16,18H,1-2,5,8-14H2/t18-/m0/s1
InChIKeyZPXYLYOZYLLQGX-SFHVURJKSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124792285
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(furan-2-yl)methanone
CID 124787501
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
CID 124819828
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4,5-difluoro-2-methylphenyl)methanone
CID 131654505
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368
1-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-methylphenyl)propan-1-one
CID 133143306
cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131644026
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
CID 121197456
3-(4-chloro-3-methylphenyl)-1-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 129356427

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one (CID 124797121) is 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CC2(C[C@@H](OCC3CC3)CCO2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
The InChIKey is ZPXYLYOZYLLQGX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26ClNO3/c21-17-6-3-15(4-7-17)5-8-19(23)22-13-20(14-22)11-18(9-10-25-20)24-12-16-1-2-16/h3-4,6-7,16,18H,1-2,5,8-14H2/t18-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one?
3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one has a molecular weight of 363.89 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one is sourced from PubChem (CID 124797121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).