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

C23H38N4O — CID 42147139

IUPAC1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C23H38N4O/c1-20-8-13-24-27(20)16-10-22(28)26-17-12-23(19-26)11-5-14-25(18-23)15-9-21-6-3-2-4-7-21/h8,13,21H,2-7,9-12,14-19H2,1H3/t23-/m1/s1
InChIKeyWXOOBERXDNFIQB-HSZRJFAPSA-N
MW386.58 g/mol
LogP3.87
Rot. Bonds6

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

1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 42147139) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID42147139
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C23H38N4O/c1-20-8-13-24-27(20)16-10-22(28)26-17-12-23(19-26)11-5-14-25(18-23)15-9-21-6-3-2-4-7-21/h8,13,21H,2-7,9-12,14-19H2,1H3/t23-/m1/s1
InChIKeyWXOOBERXDNFIQB-HSZRJFAPSA-N
XLogP3.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-cyclopentyl-8-[2-(5-methyl-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731577
7-(2-methoxyethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884884
7-(2-cyclohexylethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 45188124
7-(cyclohexylmethyl)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45206942
7-(2,2-dimethylpropyl)-2-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 45221659
2-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45238072
3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 24872359
2,2-Dimethyl-1-[4-(5-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 126750396
3-(5-methylpyrazol-1-yl)-N-[(2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 143571097
N-(3-bicyclo[3.1.0]hexanyl)-N-methylacetamide;ethane;3-methyl-1-propan-2-ylpyrazole
CID 144866153
[4-[3-[1-[(4,5-Dimethylpyrazol-1-yl)methyl]cyclohexyl]propyl]piperazin-1-yl]methanone;ethane;fermium
CID 167519778
N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569931

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 42147139) is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)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-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is WXOOBERXDNFIQB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H38N4O/c1-20-8-13-24-27(20)16-10-22(28)26-17-12-23(19-26)11-5-14-25(18-23)15-9-21-6-3-2-4-7-21/h8,13,21H,2-7,9-12,14-19H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 386.58 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 42147139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).