5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one

C22H33N3O2 — CID 119058484

IUPAC5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c[nH]1
InChIInChI=1S/C22H33N3O2/c1-17-12-20(26)19(13-23-17)21(27)25-11-9-22(16-25)8-5-10-24(15-22)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-16H2,1H3,(H,23,26)
InChIKeyDECAZIQADSJVMQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.19
Rot. Bonds3

About 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one

5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 119058484) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID119058484
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c[nH]1
InChIInChI=1S/C22H33N3O2/c1-17-12-20(26)19(13-23-17)21(27)25-11-9-22(16-25)8-5-10-24(15-22)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-16H2,1H3,(H,23,26)
InChIKeyDECAZIQADSJVMQ-UHFFFAOYSA-N
XLogP3.19
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one with MolForge

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Related Compounds

5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103878843
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 126447898
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42519327
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
5-[2-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 137151169
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
5-(2,2-dimethylthiomorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103739963
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 45229581

Frequently Asked Questions

What is the IUPAC name of 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one (CID 119058484) is 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC3(CCCN(CC4CCCCC4)C3)C2)c[nH]1.
What is the InChIKey of 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is DECAZIQADSJVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-12-20(26)19(13-23-17)21(27)25-11-9-22(16-25)8-5-10-24(15-22)14-18-6-3-2-4-7-18/h12-13,18H,2-11,14-16H2,1H3,(H,23,26).
What are the key properties of 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 371.53 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 119058484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).