(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H21FN2O2 — CID 97392268

IUPAC(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC(=O)COC12CCN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H21FN2O2/c1-12-16(21-11-15(20)18-12)5-7-19(8-6-16)10-13-3-2-4-14(17)9-13/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyJUOWZTLDLKRHAL-LBPRGKRZSA-N
MW292.35 g/mol
LogP1.70
Rot. Bonds2

About (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97392268) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97392268
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1NC(=O)COC12CCN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C16H21FN2O2/c1-12-16(21-11-15(20)18-12)5-7-19(8-6-16)10-13-3-2-4-14(17)9-13/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyJUOWZTLDLKRHAL-LBPRGKRZSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131656960
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
4-benzyl-8-[(3-fluorophenyl)methyl]-2-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42843935
1-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743522
(4S)-8-[(3-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469882
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479853
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 95707891
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97392268) is (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1NC(=O)COC12CCN(Cc1cccc(F)c1)CC2.
What is the InChIKey of (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JUOWZTLDLKRHAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-16(21-11-15(20)18-12)5-7-19(8-6-16)10-13-3-2-4-14(17)9-13/h2-4,9,12H,5-8,10-11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 292.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97392268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).