1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one

C16H22N2O2 — CID 82038184

IUPAC1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C16H22N2O2/c19-14-4-1-13(2-5-14)3-6-15(20)18-10-8-16(12-18)7-9-17-11-16/h1-2,4-5,17,19H,3,6-12H2
InChIKeyNCQQDFCGWJBYOX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds3

About 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one

1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 82038184) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID82038184
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C16H22N2O2/c19-14-4-1-13(2-5-14)3-6-15(20)18-10-8-16(12-18)7-9-17-11-16/h1-2,4-5,17,19H,3,6-12H2
InChIKeyNCQQDFCGWJBYOX-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morphiceptin
CID 119303
morphiceptin, N-Me-Phe(3)-
CID 115335
(alphaS)-N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)benzenepropanamide
CID 159548
1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10407013
N-[(S)-1-(11-Amino-undecylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-butyramide
CID 10047720
Tyr-Pro-Hfe-Pro-NH2
CID 44413086
Ypaa-NH2
CID 44577307
Cyclo-(L-Pro-L-Tyr-L-Pro-Val-)
CID 10027074
H-Tyr-Orn(1)-Phe-D-Pro-Gly-(1)
CID 11757907
(2R)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4,4-difluoropyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 127041368
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155564442
Benzenepropanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-4-hydroxy-
CID 11828601

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 82038184) is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one is O=C(CCc1ccc(O)cc1)N1CCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is NCQQDFCGWJBYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14-4-1-13(2-5-14)3-6-15(20)18-10-8-16(12-18)7-9-17-11-16/h1-2,4-5,17,19H,3,6-12H2.
What are the key properties of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one?
1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 82038184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).