cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C21H28F2N2O — CID 45182590

IUPACcyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCCC1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C21H28F2N2O/c22-18-8-3-7-17(19(18)23)13-24-11-4-9-21(14-24)10-12-25(15-21)20(26)16-5-1-2-6-16/h3,7-8,16H,1-2,4-6,9-15H2
InChIKeyVJJPYWSGWJQQBU-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.97
Rot. Bonds3

About cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45182590) has the molecular formula C21H28F2N2O and a molecular weight of 362.46 g/mol. Its IUPAC name is cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID45182590
Molecular FormulaC21H28F2N2O
Molecular Weight362.46 g/mol
Exact Mass362.22
IUPAC Namecyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCCC1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
InChIInChI=1S/C21H28F2N2O/c22-18-8-3-7-17(19(18)23)13-24-11-4-9-21(14-24)10-12-25(15-21)20(26)16-5-1-2-6-16/h3,7-8,16H,1-2,4-6,9-15H2
InChIKeyVJJPYWSGWJQQBU-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45182590) is cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1CCCC1)N1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1.
What is the InChIKey of cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is VJJPYWSGWJQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O/c22-18-8-3-7-17(19(18)23)13-24-11-4-9-21(14-24)10-12-25(15-21)20(26)16-5-1-2-6-16/h3,7-8,16H,1-2,4-6,9-15H2.
What are the key properties of cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 362.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45182590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).