1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

C16H21FN2O2 — CID 107015923

IUPAC1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)N1CCNCC12CCCCC2
InChIInChI=1S/C16H21FN2O2/c17-12-4-5-13(14(20)10-12)15(21)19-9-8-18-11-16(19)6-2-1-3-7-16/h4-5,10,18,20H,1-3,6-9,11H2
InChIKeyDQOPCOVJWAUGOS-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.28
Rot. Bonds1

About 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 107015923) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID107015923
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)N1CCNCC12CCCCC2
InChIInChI=1S/C16H21FN2O2/c17-12-4-5-13(14(20)10-12)15(21)19-9-8-18-11-16(19)6-2-1-3-7-16/h4-5,10,18,20H,1-3,6-9,11H2
InChIKeyDQOPCOVJWAUGOS-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2,4-difluorophenyl)-(4,7-diazaspiro[2.5]octan-4-yl)methanone
CID 167885755
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671543
1,4-diazaspiro[5.5]undecan-1-yl-(5-methylfuran-3-yl)methanone
CID 114822000
(2-chloro-4-fluorophenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461519
1,4-diazaspiro[5.5]undecan-1-yl-(5-ethylfuran-2-yl)methanone
CID 79094761
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 115273119
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
(2,2-dimethylpiperazin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677145
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
CID 86771080

Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (CID 107015923) is 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is O=C(c1ccc(F)cc1O)N1CCNCC12CCCCC2.
What is the InChIKey of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is DQOPCOVJWAUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-4-5-13(14(20)10-12)15(21)19-9-8-18-11-16(19)6-2-1-3-7-16/h4-5,10,18,20H,1-3,6-9,11H2.
What are the key properties of 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 292.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 107015923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).