9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H33FN2O2 — CID 70777530

IUPAC9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(F)ccc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C23H33FN2O2/c1-17-14-19(24)3-2-18(17)15-25-12-10-23(11-13-25)9-8-22(28)26(16-23)20-4-6-21(27)7-5-20/h2-3,14,20-21,27H,4-13,15-16H2,1H3
InChIKeyNSJUPQDXIKCAKT-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.64
Rot. Bonds3

About 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70777530) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70777530
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Name9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(F)ccc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1
InChIInChI=1S/C23H33FN2O2/c1-17-14-19(24)3-2-18(17)15-25-12-10-23(11-13-25)9-8-22(28)26(16-23)20-4-6-21(27)7-5-20/h2-3,14,20-21,27H,4-13,15-16H2,1H3
InChIKeyNSJUPQDXIKCAKT-UHFFFAOYSA-N
XLogP3.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70777530) is 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(F)ccc1CN1CCC2(CCC(=O)N(C3CCC(O)CC3)C2)CC1.
What is the InChIKey of 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NSJUPQDXIKCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O2/c1-17-14-19(24)3-2-18(17)15-25-12-10-23(11-13-25)9-8-22(28)26(16-23)20-4-6-21(27)7-5-20/h2-3,14,20-21,27H,4-13,15-16H2,1H3.
What are the key properties of 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.53 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluoro-2-methylphenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70777530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).