[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C23H38N4O — CID 25367596

IUPAC[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CC[C@@]3(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/t23-/m1/s1
InChIKeyFDOGGTDHOSXSEU-HSZRJFAPSA-N
MW386.58 g/mol
LogP4.36
Rot. Bonds5

About [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 25367596) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID25367596
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CC[C@@]3(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/t23-/m1/s1
InChIKeyFDOGGTDHOSXSEU-HSZRJFAPSA-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

Analyze [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
1-(cyclohexylmethyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72838074
2-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72839161
(4aS*,7aS*)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]octahydro-1H-pyrrolo[3,4-b]pyridine
CID 70715204
(1-Cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927914
(1-Cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 71931829
2-Azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84584079
3-(4-methylpyrazol-1-yl)-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97123867
(5S)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156475
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 129490806

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 25367596) is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)cn1.
What is the InChIKey of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is FDOGGTDHOSXSEU-HSZRJFAPSA-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/t23-/m1/s1.
What are the key properties of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[(5R)-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 [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 25367596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).