(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone

C18H30N4O — CID 138035518

IUPAC(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone
SMILESCCC(CC)n1nccc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C18H30N4O/c1-4-15(5-2)22-16(6-10-19-22)17(23)21-13-9-18(14-21)7-11-20(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3
InChIKeyCGXSRFCPNBASQB-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.80
Rot. Bonds4

About (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone

(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone (PubChem CID 138035518) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone
PubChem CID138035518
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone
SMILESCCC(CC)n1nccc1C(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C18H30N4O/c1-4-15(5-2)22-16(6-10-19-22)17(23)21-13-9-18(14-21)7-11-20(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3
InChIKeyCGXSRFCPNBASQB-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone with MolForge

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Related Compounds

2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 125157569
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
(3R)-2-(2-pentan-3-ylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 97337251
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 63134182
(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(5-methylfuran-2-yl)methanone
CID 155876019
N-[(2-methylpropan-2-yl)oxy]-2-pentan-3-ylpyrazole-3-carboxamide
CID 166189777
8-(2-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70745018
[3-ethyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91925174
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone?
The IUPAC name of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone (CID 138035518) is (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone?
The canonical SMILES for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone is CCC(CC)n1nccc1C(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone?
The InChIKey is CGXSRFCPNBASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-15(5-2)22-16(6-10-19-22)17(23)21-13-9-18(14-21)7-11-20(3)12-8-18/h6,10,15H,4-5,7-9,11-14H2,1-3H3.
What are the key properties of (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone?
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone has a molecular weight of 318.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(2-pentan-3-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 138035518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).