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

C17H26N4O2 — CID 97471487

IUPAC9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(N2CC3(CCN(CC4CCC4)CC3)OCC2=O)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-15(9-18-19)21-13-17(23-12-16(21)22)5-7-20(8-6-17)10-14-3-2-4-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyFZPDSJXZSJBSCJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds3

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

9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471487) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471487
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCn1cc(N2CC3(CCN(CC4CCC4)CC3)OCC2=O)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-15(9-18-19)21-13-17(23-12-16(21)22)5-7-20(8-6-17)10-14-3-2-4-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyFZPDSJXZSJBSCJ-UHFFFAOYSA-N
XLogP1.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471487) is 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cn1cc(N2CC3(CCN(CC4CCC4)CC3)OCC2=O)cn1.
What is the InChIKey of 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FZPDSJXZSJBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-11-15(9-18-19)21-13-17(23-12-16(21)22)5-7-20(8-6-17)10-14-3-2-4-14/h9,11,14H,2-8,10,12-13H2,1H3.
What are the key properties of 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).