7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N2O — CID 45209323

IUPAC7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(CC1CC1)C2
InChIInChI=1S/C19H32N2O/c22-18-19(10-12-20(15-19)13-17-7-8-17)9-4-11-21(18)14-16-5-2-1-3-6-16/h16-17H,1-15H2
InChIKeyCOKBGLKSOFRLMF-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.29
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45209323) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45209323
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCCCC2)CCCC12CCN(CC1CC1)C2
InChIInChI=1S/C19H32N2O/c22-18-19(10-12-20(15-19)13-17-7-8-17)9-4-11-21(18)14-16-5-2-1-3-6-16/h16-17H,1-15H2
InChIKeyCOKBGLKSOFRLMF-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45209323) is 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCCCC2)CCCC12CCN(CC1CC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is COKBGLKSOFRLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c22-18-19(10-12-20(15-19)13-17-7-8-17)9-4-11-21(18)14-16-5-2-1-3-6-16/h16-17H,1-15H2.
What are the key properties of 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 304.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45209323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).