1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

C15H26N4O2 — CID 97396282

IUPAC1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C15H26N4O2/c1-20-10-8-19-9-11-21-13-15(19)3-6-18(7-4-15)12-14-2-5-16-17-14/h2,5H,3-4,6-13H2,1H3,(H,16,17)
InChIKeyKQOWWNXPBPUTFW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.72
Rot. Bonds5

About 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396282) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396282
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C15H26N4O2/c1-20-10-8-19-9-11-21-13-15(19)3-6-18(7-4-15)12-14-2-5-16-17-14/h2,5H,3-4,6-13H2,1H3,(H,16,17)
InChIKeyKQOWWNXPBPUTFW-UHFFFAOYSA-N
XLogP0.72
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396282) is 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCOCC12CCN(Cc1ccn[nH]1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is KQOWWNXPBPUTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-20-10-8-19-9-11-21-13-15(19)3-6-18(7-4-15)12-14-2-5-16-17-14/h2,5H,3-4,6-13H2,1H3,(H,16,17).
What are the key properties of 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 294.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-(1H-pyrazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).