3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

C24H37N3O2 — CID 45214582

IUPAC3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]c1C
InChIInChI=1S/C24H37N3O2/c1-18-15-21(22(28)25-19(18)2)23(29)27-14-11-24(17-27)10-6-12-26(16-24)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3,(H,25,28)
InChIKeyHCMGJESHGPTLOU-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.89
Rot. Bonds4

About 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 45214582) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
PubChem CID45214582
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]c1C
InChIInChI=1S/C24H37N3O2/c1-18-15-21(22(28)25-19(18)2)23(29)27-14-11-24(17-27)10-6-12-26(16-24)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3,(H,25,28)
InChIKeyHCMGJESHGPTLOU-UHFFFAOYSA-N
XLogP3.89
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (CID 45214582) is 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)c(=O)[nH]c1C.
What is the InChIKey of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is HCMGJESHGPTLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-15-21(22(28)25-19(18)2)23(29)27-14-11-24(17-27)10-6-12-26(16-24)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of 3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
3-[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 399.58 g/mol, XLogP of 3.89, 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]-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 45214582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).