4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H22N4O3 — CID 97471434

IUPAC4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CC1
InChIInChI=1S/C17H22N4O3/c22-15-11-24-17(12-21(15)10-13-1-2-13)3-7-20(8-4-17)16(23)14-9-18-5-6-19-14/h5-6,9,13H,1-4,7-8,10-12H2
InChIKeyFVLIEYJFVSTVQR-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.72
Rot. Bonds3

About 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471434) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471434
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CC1
InChIInChI=1S/C17H22N4O3/c22-15-11-24-17(12-21(15)10-13-1-2-13)3-7-20(8-4-17)16(23)14-9-18-5-6-19-14/h5-6,9,13H,1-4,7-8,10-12H2
InChIKeyFVLIEYJFVSTVQR-UHFFFAOYSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471434) is 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(C(=O)c3cnccn3)CC2)CN1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FVLIEYJFVSTVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-24-17(12-21(15)10-13-1-2-13)3-7-20(8-4-17)16(23)14-9-18-5-6-19-14/h5-6,9,13H,1-4,7-8,10-12H2.
What are the key properties of 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).