[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C23H38N4O — CID 45201373

IUPAC[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C23H38N4O/c1-19(2)27-16-21(15-24-27)22(28)26-14-11-23(18-26)10-6-12-25(17-23)13-9-20-7-4-3-5-8-20/h15-16,19-20H,3-14,17-18H2,1-2H3
InChIKeyFDOGGTDHOSXSEU-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.36
Rot. Bonds5

About [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 45201373) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID45201373
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)cn1
InChIInChI=1S/C23H38N4O/c1-19(2)27-16-21(15-24-27)22(28)26-14-11-23(18-26)10-6-12-25(17-23)13-9-20-7-4-3-5-8-20/h15-16,19-20H,3-14,17-18H2,1-2H3
InChIKeyFDOGGTDHOSXSEU-UHFFFAOYSA-N
XLogP4.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42197173
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45209392
3-[2-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 42396254
1-(azepan-1-yl)-2-[4-(1-propan-2-ylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137340124
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 96576442
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
CID 119058484
9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630006

Frequently Asked Questions

What is the IUPAC name of [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 45201373) is [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CCC3(CCCN(CCC4CCCCC4)C3)C2)cn1.
What is the InChIKey of [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is FDOGGTDHOSXSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-19(2)27-16-21(15-24-27)22(28)26-14-11-23(18-26)10-6-12-25(17-23)13-9-20-7-4-3-5-8-20/h15-16,19-20H,3-14,17-18H2,1-2H3.
What are the key properties of [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 386.58 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 45201373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).