[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone

C19H30N4O2 — CID 91922269

IUPAC[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)cn1
InChIInChI=1S/C19H30N4O2/c1-2-23-11-15(10-20-23)18(25)21-8-6-19(7-9-21)14-22(12-16(19)13-24)17-4-3-5-17/h10-11,16-17,24H,2-9,12-14H2,1H3
InChIKeyCGJUWQXUOPXWCD-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.60
Rot. Bonds4

About [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone

[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 91922269) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID91922269
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)cn1
InChIInChI=1S/C19H30N4O2/c1-2-23-11-15(10-20-23)18(25)21-8-6-19(7-9-21)14-22(12-16(19)13-24)17-4-3-5-17/h10-11,16-17,24H,2-9,12-14H2,1H3
InChIKeyCGJUWQXUOPXWCD-UHFFFAOYSA-N
XLogP1.60
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 91921879
1-[8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110156228
1-[(3R)-8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124981846
[5-(hydroxymethyl)-9-(oxan-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylpyrazol-4-yl)methanone
CID 74239848
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
1-[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
CID 91921862
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91922195
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184
(1-ethylpyrazol-4-yl)-[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156225
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone (CID 91922269) is [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCC3(CC2)CN(C2CCC2)CC3CO)cn1.
What is the InChIKey of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is CGJUWQXUOPXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-23-11-15(10-20-23)18(25)21-8-6-19(7-9-21)14-22(12-16(19)13-24)17-4-3-5-17/h10-11,16-17,24H,2-9,12-14H2,1H3.
What are the key properties of [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone?
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 91922269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).