(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C16H20FNO3 — CID 110159563

IUPAC(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-11-3-4-12(9-13(11)17)15(20)18-7-6-16(14(19)10-18)5-2-8-21-16/h3-4,9,14,19H,2,5-8,10H2,1H3/t14-,16-/m0/s1
InChIKeyNVNSCPGJYFHMIV-HOCLYGCPSA-N
MW293.34 g/mol
LogP1.89
Rot. Bonds1

About (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 110159563) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID110159563
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-11-3-4-12(9-13(11)17)15(20)18-7-6-16(14(19)10-18)5-2-8-21-16/h3-4,9,14,19H,2,5-8,10H2,1H3/t14-,16-/m0/s1
InChIKeyNVNSCPGJYFHMIV-HOCLYGCPSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159606
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 110156366
(4-ethylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159527
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-2-pyridinyl)methanone
CID 110156165
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[(2S,5R,6R)-8-(3-fluoro-4-methylbenzoyl)-6-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 124521046
[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,2-oxazol-3-yl)methanone
CID 110155802
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110159754
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110159848

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 110159563) is (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NVNSCPGJYFHMIV-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-3-4-12(9-13(11)17)15(20)18-7-6-16(14(19)10-18)5-2-8-21-16/h3-4,9,14,19H,2,5-8,10H2,1H3/t14-,16-/m0/s1.
What are the key properties of (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 293.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 110159563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).