3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C17H24N4O3 — CID 125020131

IUPAC3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CCC[C@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1
InChIInChI=1S/C17H24N4O3/c1-20-6-2-3-13(11-20)14-9-18-10-15(19-14)21-12-17(24-16(21)22)4-7-23-8-5-17/h9-10,13H,2-8,11-12H2,1H3/t13-/m0/s1
InChIKeyYAVTTYCGEQQOHS-ZDUSSCGKSA-N
MW332.40 g/mol
LogP1.79
Rot. Bonds2

About 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 125020131) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID125020131
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCN1CCC[C@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1
InChIInChI=1S/C17H24N4O3/c1-20-6-2-3-13(11-20)14-9-18-10-15(19-14)21-12-17(24-16(21)22)4-7-23-8-5-17/h9-10,13H,2-8,11-12H2,1H3/t13-/m0/s1
InChIKeyYAVTTYCGEQQOHS-ZDUSSCGKSA-N
XLogP1.79
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 125020131) is 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is CN1CCC[C@H](c2cncc(N3CC4(CCOCC4)OC3=O)n2)C1.
What is the InChIKey of 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is YAVTTYCGEQQOHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-6-2-3-13(11-20)14-9-18-10-15(19-14)21-12-17(24-16(21)22)4-7-23-8-5-17/h9-10,13H,2-8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 125020131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).