1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C22H36N4O — CID 25381889

IUPAC1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C22H36N4O/c27-21(8-7-20-15-23-24-16-20)26-14-11-22(18-26)10-4-12-25(17-22)13-9-19-5-2-1-3-6-19/h15-16,19H,1-14,17-18H2,(H,23,24)/t22-/m1/s1
InChIKeySOSWPMBDZRBATL-JOCHJYFZSA-N
MW372.56 g/mol
LogP3.63
Rot. Bonds6

About 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 25381889) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID25381889
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C22H36N4O/c27-21(8-7-20-15-23-24-16-20)26-14-11-22(18-26)10-4-12-25(17-22)13-9-19-5-2-1-3-6-19/h15-16,19H,1-14,17-18H2,(H,23,24)/t22-/m1/s1
InChIKeySOSWPMBDZRBATL-JOCHJYFZSA-N
XLogP3.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
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CID 124219308
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
1-[(4S)-4-tert-butylazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 125525311
N-cyclohexyl-N-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)propanamide
CID 132425753
1-[3-(1H-Pyrazol-4-YL)piperidin-1-YL]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 86787382
1-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877502
1-[(3R)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877503
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704
7-(cyclohexylmethyl)-2-(1H-pyrazol-4-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45194522
7-(Cyclobutylmethyl)-2-[3-(1H-pyrazol-4-YL)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
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N-isopropyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]-1,4'-bipiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 25381889) is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one is O=C(CCc1cn[nH]c1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1.
What is the InChIKey of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is SOSWPMBDZRBATL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H36N4O/c27-21(8-7-20-15-23-24-16-20)26-14-11-22(18-26)10-4-12-25(17-22)13-9-19-5-2-1-3-6-19/h15-16,19H,1-14,17-18H2,(H,23,24)/t22-/m1/s1.
What are the key properties of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 372.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 25381889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).