3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H32N4O3 — CID 70754257

IUPAC3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)OC1=O
InChIInChI=1S/C20H32N4O3/c1-6-7-14(2)23-13-20(27-19(23)26)8-10-22(11-9-20)18(25)12-24-17(5)15(3)16(4)21-24/h14H,6-13H2,1-5H3
InChIKeyFUNGRVVLAYFHSB-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.81
Rot. Bonds5

About 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70754257) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70754257
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)OC1=O
InChIInChI=1S/C20H32N4O3/c1-6-7-14(2)23-13-20(27-19(23)26)8-10-22(11-9-20)18(25)12-24-17(5)15(3)16(4)21-24/h14H,6-13H2,1-5H3
InChIKeyFUNGRVVLAYFHSB-UHFFFAOYSA-N
XLogP2.81
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70754257) is 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)OC1=O.
What is the InChIKey of 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FUNGRVVLAYFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-6-7-14(2)23-13-20(27-19(23)26)8-10-22(11-9-20)18(25)12-24-17(5)15(3)16(4)21-24/h14H,6-13H2,1-5H3.
What are the key properties of 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-8-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70754257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).