3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C23H35N3O2 — CID 45213944

IUPAC3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O2/c1-17-13-18(2)24-21(27)20(17)22(28)26-12-10-23(16-26)9-6-11-25(15-23)14-19-7-4-3-5-8-19/h13,19H,3-12,14-16H2,1-2H3,(H,24,27)
InChIKeyCDPXZXKZTSLXFL-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.50
Rot. Bonds3

About 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 45213944) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID45213944
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O2/c1-17-13-18(2)24-21(27)20(17)22(28)26-12-10-23(16-26)9-6-11-25(15-23)14-19-7-4-3-5-8-19/h13,19H,3-12,14-16H2,1-2H3,(H,24,27)
InChIKeyCDPXZXKZTSLXFL-UHFFFAOYSA-N
XLogP3.50
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 45213944) is 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is CDPXZXKZTSLXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-13-18(2)24-21(27)20(17)22(28)26-12-10-23(16-26)9-6-11-25(15-23)14-19-7-4-3-5-8-19/h13,19H,3-12,14-16H2,1-2H3,(H,24,27).
What are the key properties of 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 385.55 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 45213944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).