9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H24N4O2 — CID 97451118

IUPAC9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(N2CC3(CCN(Cc4ccccc4)CC3)OCC2=O)cn1
InChIInChI=1S/C19H24N4O2/c1-21-13-17(11-20-21)23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-16-5-3-2-4-6-16/h2-6,11,13H,7-10,12,14-15H2,1H3
InChIKeyFOSQNKCVDWFDKQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.82
Rot. Bonds3

About 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451118) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451118
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(N2CC3(CCN(Cc4ccccc4)CC3)OCC2=O)cn1
InChIInChI=1S/C19H24N4O2/c1-21-13-17(11-20-21)23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-16-5-3-2-4-6-16/h2-6,11,13H,7-10,12,14-15H2,1H3
InChIKeyFOSQNKCVDWFDKQ-UHFFFAOYSA-N
XLogP1.82
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451118) is 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cn1cc(N2CC3(CCN(Cc4ccccc4)CC3)OCC2=O)cn1.
What is the InChIKey of 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FOSQNKCVDWFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-13-17(11-20-21)23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-16-5-3-2-4-6-16/h2-6,11,13H,7-10,12,14-15H2,1H3.
What are the key properties of 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).