2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H26F2N2O — CID 45214580

IUPAC2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCC1)C2
InChIInChI=1S/C20H26F2N2O/c21-17-7-6-15(12-18(17)22)13-23-10-3-8-20(19(23)25)9-11-24(14-20)16-4-1-2-5-16/h6-7,12,16H,1-5,8-11,13-14H2
InChIKeyUCTOADRYIAOYMV-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.72
Rot. Bonds3

About 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45214580) has the molecular formula C20H26F2N2O and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45214580
Molecular FormulaC20H26F2N2O
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCC1)C2
InChIInChI=1S/C20H26F2N2O/c21-17-7-6-15(12-18(17)22)13-23-10-3-8-20(19(23)25)9-11-24(14-20)16-4-1-2-5-16/h6-7,12,16H,1-5,8-11,13-14H2
InChIKeyUCTOADRYIAOYMV-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(3,4-difluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 45232194
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45200848
(5R)-7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25284014
(5S)-7-[(3,4-difluorophenyl)methyl]-2-propylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42214003
(5R)-7-[(3,4-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459558
7-[(3,4-difluorophenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45235909
(5S)-7-[(3,4-difluorophenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 42401902
(5S)-N-butyl-7-[(3,4-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26315460
(3S)-3-[(cyclobutylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 25378903
(3S)-3-[(cyclohexylmethylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 42508110

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45214580) is 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UCTOADRYIAOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O/c21-17-7-6-15(12-18(17)22)13-23-10-3-8-20(19(23)25)9-11-24(14-20)16-4-1-2-5-16/h6-7,12,16H,1-5,8-11,13-14H2.
What are the key properties of 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45214580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).