1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H30N2O — CID 97407944

IUPAC1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H30N2O/c1-15(20)19-11-8-17(9-12-19)7-10-18(14-17)13-16-5-3-2-4-6-16/h16H,2-14H2,1H3
InChIKeyFPLSPJCQYRYTQF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds2

About 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97407944) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID97407944
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H30N2O/c1-15(20)19-11-8-17(9-12-19)7-10-18(14-17)13-16-5-3-2-4-6-16/h16H,2-14H2,1H3
InChIKeyFPLSPJCQYRYTQF-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 97407944) is 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CCN(CC3CCCCC3)C2)CC1.
What is the InChIKey of 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is FPLSPJCQYRYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(20)19-11-8-17(9-12-19)7-10-18(14-17)13-16-5-3-2-4-6-16/h16H,2-14H2,1H3.
What are the key properties of 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 278.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97407944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).