1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one

C21H29NO4 — CID 97418875

IUPAC1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2(CC1)C[C@H](OCC1CC1)CO2
InChIInChI=1S/C21H29NO4/c23-20(8-13-24-18-4-2-1-3-5-18)22-11-9-21(10-12-22)14-19(16-26-21)25-15-17-6-7-17/h1-5,17,19H,6-16H2/t19-/m0/s1
InChIKeyFZKZUHJJKTZGAD-IBGZPJMESA-N
MW359.47 g/mol
LogP3.03
Rot. Bonds7

About 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one

1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one (PubChem CID 97418875) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
PubChem CID97418875
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC2(CC1)C[C@H](OCC1CC1)CO2
InChIInChI=1S/C21H29NO4/c23-20(8-13-24-18-4-2-1-3-5-18)22-11-9-21(10-12-22)14-19(16-26-21)25-15-17-6-7-17/h1-5,17,19H,6-16H2/t19-/m0/s1
InChIKeyFZKZUHJJKTZGAD-IBGZPJMESA-N
XLogP3.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one with MolForge

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Related Compounds

[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-phenylpyrazol-4-yl)methanone
CID 97394209
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-quinolin-2-ylmethanone
CID 97477423
2-(2,3-dihydro-1H-inden-2-yl)-1-[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97474158
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(3-fluoro-4-methylphenyl)methanone
CID 97419936
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one (CID 97418875) is 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC2(CC1)C[C@H](OCC1CC1)CO2.
What is the InChIKey of 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one?
The InChIKey is FZKZUHJJKTZGAD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29NO4/c23-20(8-13-24-18-4-2-1-3-5-18)22-11-9-21(10-12-22)14-19(16-26-21)25-15-17-6-7-17/h1-5,17,19H,6-16H2/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one?
1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 97418875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).