[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone

C18H26N4O2 — CID 118745498

IUPAC[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(16-10-19-5-6-20-16)22-7-1-4-18(13-22)12-21(8-9-24-14-18)11-15-2-3-15/h5-6,10,15H,1-4,7-9,11-14H2
InChIKeyNNRKGYYXFRAINN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.44
Rot. Bonds3

About [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone

[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone (PubChem CID 118745498) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone
PubChem CID118745498
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H26N4O2/c23-17(16-10-19-5-6-20-16)22-7-1-4-18(13-22)12-21(8-9-24-14-18)11-15-2-3-15/h5-6,10,15H,1-4,7-9,11-14H2
InChIKeyNNRKGYYXFRAINN-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone (CID 118745498) is [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is NNRKGYYXFRAINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(16-10-19-5-6-20-16)22-7-1-4-18(13-22)12-21(8-9-24-14-18)11-15-2-3-15/h5-6,10,15H,1-4,7-9,11-14H2.
What are the key properties of [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone?
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 118745498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).