2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H31FN2O — CID 70716601

IUPAC2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(F)cc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C22H31FN2O/c1-17-6-7-19(23)14-18(17)15-24-12-10-22(11-13-24)9-8-21(26)25(16-22)20-4-2-3-5-20/h6-7,14,20H,2-5,8-13,15-16H2,1H3
InChIKeyYTSPCAFIROXFSE-UHFFFAOYSA-N
MW358.50 g/mol
LogP4.28
Rot. Bonds3

About 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70716601) has the molecular formula C22H31FN2O and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70716601
Molecular FormulaC22H31FN2O
Molecular Weight358.50 g/mol
Exact Mass358.24
IUPAC Name2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ccc(F)cc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C22H31FN2O/c1-17-6-7-19(23)14-18(17)15-24-12-10-22(11-13-24)9-8-21(26)25(16-22)20-4-2-3-5-20/h6-7,14,20H,2-5,8-13,15-16H2,1H3
InChIKeyYTSPCAFIROXFSE-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70716601) is 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ccc(F)cc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YTSPCAFIROXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O/c1-17-6-7-19(23)14-18(17)15-24-12-10-22(11-13-24)9-8-21(26)25(16-22)20-4-2-3-5-20/h6-7,14,20H,2-5,8-13,15-16H2,1H3.
What are the key properties of 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70716601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).