8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H24N4O2 — CID 70772778

IUPAC8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O
InChIInChI=1S/C16H24N4O2/c1-18-11-16(22-15(18)21)5-7-20(8-6-16)10-13-9-17-19(2)14(13)12-3-4-12/h9,12H,3-8,10-11H2,1-2H3
InChIKeyFHNGKSRLJLERCA-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds3

About 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70772778) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70772778
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O
InChIInChI=1S/C16H24N4O2/c1-18-11-16(22-15(18)21)5-7-20(8-6-16)10-13-9-17-19(2)14(13)12-3-4-12/h9,12H,3-8,10-11H2,1-2H3
InChIKeyFHNGKSRLJLERCA-UHFFFAOYSA-N
XLogP1.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70772778) is 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O.
What is the InChIKey of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FHNGKSRLJLERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-11-16(22-15(18)21)5-7-20(8-6-16)10-13-9-17-19(2)14(13)12-3-4-12/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70772778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).