9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H26N4O3 — CID 97471445

IUPAC9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2
InChIInChI=1S/C18H26N4O3/c23-16(12-15-2-3-15)20-8-4-18(5-9-20)14-21(17(24)13-25-18)10-11-22-7-1-6-19-22/h1,6-7,15H,2-5,8-14H2
InChIKeyGUOGTGLSAJNZIK-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.90
Rot. Bonds5

About 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471445) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471445
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(CC1CC1)N1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2
InChIInChI=1S/C18H26N4O3/c23-16(12-15-2-3-15)20-8-4-18(5-9-20)14-21(17(24)13-25-18)10-11-22-7-1-6-19-22/h1,6-7,15H,2-5,8-14H2
InChIKeyGUOGTGLSAJNZIK-UHFFFAOYSA-N
XLogP0.90
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Cyclopropylmethoxy)-1-(3-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 53555509
9-(2-Methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392238
9-Methylsulfonyl-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471446
9-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471486
9-(Cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471487
9-(Cyclopropylmethyl)-5-methyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118744414
N-ethyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24819250
1-[3-(4-morpholinyl)propyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72924482
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 53552119
2-(Cyclopropylmethoxy)-1-(3-pyrazol-1-ylpiperidin-1-yl)propan-1-one
CID 53562290
1-[4-[2-(2,6-Dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 75399608
1-[4-[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]piperidin-1-yl]ethanone
CID 99960873

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471445) is 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(CC1CC1)N1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2.
What is the InChIKey of 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GUOGTGLSAJNZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(12-15-2-3-15)20-8-4-18(5-9-20)14-21(17(24)13-25-18)10-11-22-7-1-6-19-22/h1,6-7,15H,2-5,8-14H2.
What are the key properties of 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).