3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one

C23H35N3O2 — CID 45249848

IUPAC3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O2/c1-18-8-9-20(21(27)24-18)22(28)26-15-12-23(17-26)11-5-13-25(16-23)14-10-19-6-3-2-4-7-19/h8-9,19H,2-7,10-17H2,1H3,(H,24,27)
InChIKeyVYOSKZLNOSEWRY-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.58
Rot. Bonds4

About 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one

3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 45249848) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID45249848
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O2/c1-18-8-9-20(21(27)24-18)22(28)26-15-12-23(17-26)11-5-13-25(16-23)14-10-19-6-3-2-4-7-19/h8-9,19H,2-7,10-17H2,1H3,(H,24,27)
InChIKeyVYOSKZLNOSEWRY-UHFFFAOYSA-N
XLogP3.58
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one (CID 45249848) is 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is VYOSKZLNOSEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18-8-9-20(21(27)24-18)22(28)26-15-12-23(17-26)11-5-13-25(16-23)14-10-19-6-3-2-4-7-19/h8-9,19H,2-7,10-17H2,1H3,(H,24,27).
What are the key properties of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 385.55 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 45249848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).