8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

C18H22N4O3 — CID 97449934

IUPAC8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1occc1C(=O)N1CCC2(CC1)CCN(c1cnn(C)c1)C2=O
InChIInChI=1S/C18H22N4O3/c1-13-15(3-10-25-13)16(23)21-7-4-18(5-8-21)6-9-22(17(18)24)14-11-19-20(2)12-14/h3,10-12H,4-9H2,1-2H3
InChIKeySDIZLLIJDVXVDA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.98
Rot. Bonds2

About 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449934) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449934
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1occc1C(=O)N1CCC2(CC1)CCN(c1cnn(C)c1)C2=O
InChIInChI=1S/C18H22N4O3/c1-13-15(3-10-25-13)16(23)21-7-4-18(5-8-21)6-9-22(17(18)24)14-11-19-20(2)12-14/h3,10-12H,4-9H2,1-2H3
InChIKeySDIZLLIJDVXVDA-UHFFFAOYSA-N
XLogP1.98
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449934) is 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1occc1C(=O)N1CCC2(CC1)CCN(c1cnn(C)c1)C2=O.
What is the InChIKey of 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SDIZLLIJDVXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-15(3-10-25-13)16(23)21-7-4-18(5-8-21)6-9-22(17(18)24)14-11-19-20(2)12-14/h3,10-12H,4-9H2,1-2H3.
What are the key properties of 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).