9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H26N4O3 — CID 97392238

IUPAC9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2
InChIInChI=1S/C16H26N4O3/c1-22-12-11-18-7-3-16(4-8-18)14-19(15(21)13-23-16)9-10-20-6-2-5-17-20/h2,5-6H,3-4,7-14H2,1H3
InChIKeyIROHYHMZNQYASF-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.22
Rot. Bonds6

About 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97392238) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97392238
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2
InChIInChI=1S/C16H26N4O3/c1-22-12-11-18-7-3-16(4-8-18)14-19(15(21)13-23-16)9-10-20-6-2-5-17-20/h2,5-6H,3-4,7-14H2,1H3
InChIKeyIROHYHMZNQYASF-UHFFFAOYSA-N
XLogP0.22
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97392238) is 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COCCN1CCC2(CC1)CN(CCn1cccn1)C(=O)CO2.
What is the InChIKey of 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IROHYHMZNQYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-12-11-18-7-3-16(4-8-18)14-19(15(21)13-23-16)9-10-20-6-2-5-17-20/h2,5-6H,3-4,7-14H2,1H3.
What are the key properties of 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.41 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97392238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).