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

C16H22N4O3 — CID 124946066

IUPAC3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cncc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-9-13(19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2/t12-/m0/s1
InChIKeyBVQCJWZWLMZLRY-LBPRGKRZSA-N
MW318.38 g/mol
LogP1.45
Rot. Bonds2

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

3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 124946066) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID124946066
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCOCC2)CN1c1cncc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-9-13(19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2/t12-/m0/s1
InChIKeyBVQCJWZWLMZLRY-LBPRGKRZSA-N
XLogP1.45
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099054
3-[6-(1-Acetylpiperidin-4-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110098954
Tert-butyl 3-[5-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 110099018
3-[6-(1-Acetylpiperidin-3-yl)pyrazin-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099051
Tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate
CID 174538935
1-[4-[5-[[(3R)-oxan-3-yl]amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825556
1-[4-[5-[[(3S)-oxan-3-yl]amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825557
1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825655
1-[(3R)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825656
N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
CID 110090083
3-[6-(Piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110096487
3-(5-Piperidin-3-ylpyrazin-2-yl)-1,3-oxazolidin-2-one
CID 110096488

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 124946066) is 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCOCC2)CN1c1cncc([C@H]2CCCNC2)n1.
What is the InChIKey of 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is BVQCJWZWLMZLRY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15-20(11-16(23-15)3-6-22-7-4-16)14-10-18-9-13(19-14)12-2-1-5-17-8-12/h9-10,12,17H,1-8,11H2/t12-/m0/s1.
What are the key properties of 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-piperidin-3-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124946066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).