4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H24N4O3 — CID 118738908

IUPAC4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C18H24N4O3/c1-13-18(25-12-16(23)22(13)11-14-2-3-14)4-8-21(9-5-18)17(24)15-10-19-6-7-20-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3
InChIKeyKFYHVYMNUBYQTE-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.11
Rot. Bonds3

About 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118738908) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118738908
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C18H24N4O3/c1-13-18(25-12-16(23)22(13)11-14-2-3-14)4-8-21(9-5-18)17(24)15-10-19-6-7-20-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3
InChIKeyKFYHVYMNUBYQTE-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118738908) is 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(CC2CC2)C(=O)COC12CCN(C(=O)c1cnccn1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KFYHVYMNUBYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-18(25-12-16(23)22(13)11-14-2-3-14)4-8-21(9-5-18)17(24)15-10-19-6-7-20-15/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.42 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-methyl-9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118738908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).