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

C20H34N2O2 — CID 45226919

IUPAC7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)C(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H34N2O2/c1-19(2,3)17(23)22-13-11-20(15-22)10-7-12-21(18(20)24)14-16-8-5-4-6-9-16/h16H,4-15H2,1-3H3
InChIKeyKKUDNMUXGWAGBK-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.45
Rot. Bonds2

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

7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45226919) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45226919
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)C(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H34N2O2/c1-19(2,3)17(23)22-13-11-20(15-22)10-7-12-21(18(20)24)14-16-8-5-4-6-9-16/h16H,4-15H2,1-3H3
InChIKeyKKUDNMUXGWAGBK-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 883952
7-(Cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45216447
1-[2-(Cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97407944
6-(Cyclohexanecarbonyl)-2-ethyl-2,6-diazaspiro[4.5]decan-3-one
CID 118738891
13-Acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742195
7-(2-Methoxyethyl)-2-[(1-methylcyclohexyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45241573
1-[4-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]piperidin-1-yl]ethanone
CID 25457112
(5S)-7-(cyclohexylmethyl)-6-oxo-N-propyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 42298022
(5S)-2-(cyclobutanecarbonyl)-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556970
(5S)-7-(cyclohexylmethyl)-2-(cyclopentanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42557162
7-(Cyclohexylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179572
1'-[(1-Methylcyclohexyl)carbonyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 56702732

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45226919) is 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)C(=O)N1CCC2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KKUDNMUXGWAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-19(2,3)17(23)22-13-11-20(15-22)10-7-12-21(18(20)24)14-16-8-5-4-6-9-16/h16H,4-15H2,1-3H3.
What are the key properties of 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.50 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(2,2-dimethylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45226919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).