[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C17H25N5O2 — CID 135097694

IUPAC[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCOC3(CCNCC3)C2)n1)N1CCCC1
InChIInChI=1S/C17H25N5O2/c23-16(21-7-1-2-8-21)14-11-19-12-15(20-14)22-9-10-24-17(13-22)3-5-18-6-4-17/h11-12,18H,1-10,13H2
InChIKeyOIOHHKZFZGZUGK-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.67
Rot. Bonds2

About [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135097694) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135097694
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCOC3(CCNCC3)C2)n1)N1CCCC1
InChIInChI=1S/C17H25N5O2/c23-16(21-7-1-2-8-21)14-11-19-12-15(20-14)22-9-10-24-17(13-22)3-5-18-6-4-17/h11-12,18H,1-10,13H2
InChIKeyOIOHHKZFZGZUGK-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
morpholin-4-yl-[6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]pyrazin-2-yl]methanone
CID 97192527
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
1'-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 135116488
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874
[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 72904435
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637

Frequently Asked Questions

What is the IUPAC name of [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 135097694) is [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(N2CCOC3(CCNCC3)C2)n1)N1CCCC1.
What is the InChIKey of [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OIOHHKZFZGZUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(21-7-1-2-8-21)14-11-19-12-15(20-14)22-9-10-24-17(13-22)3-5-18-6-4-17/h11-12,18H,1-10,13H2.
What are the key properties of [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135097694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).