3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

C16H26N4O2 — CID 166582777

IUPAC3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILES[2H][C@@]1(N)[C@H](C)OCC12CCN(c1ncc(C(C)C)[nH]c1=O)CC2
InChIInChI=1S/C16H26N4O2/c1-10(2)12-8-18-14(15(21)19-12)20-6-4-16(5-7-20)9-22-11(3)13(16)17/h8,10-11,13H,4-7,9,17H2,1-3H3,(H,19,21)/t11-,13+/m0/s1/i13D
InChIKeyDHUAXMFWIRALFB-WUNHMLCDSA-N
MW307.42 g/mol
LogP1.23
Rot. Bonds2

About 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one

3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (PubChem CID 166582777) has the molecular formula C16H26N4O2 and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
PubChem CID166582777
Molecular FormulaC16H26N4O2
Molecular Weight307.42 g/mol
Exact Mass307.21
IUPAC Name3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
SMILES[2H][C@@]1(N)[C@H](C)OCC12CCN(c1ncc(C(C)C)[nH]c1=O)CC2
InChIInChI=1S/C16H26N4O2/c1-10(2)12-8-18-14(15(21)19-12)20-6-4-16(5-7-20)9-22-11(3)13(16)17/h8,10-11,13H,4-7,9,17H2,1-3H3,(H,19,21)/t11-,13+/m0/s1/i13D
InChIKeyDHUAXMFWIRALFB-WUNHMLCDSA-N
XLogP1.23
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one (CID 166582777) is 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is [2H][C@@]1(N)[C@H](C)OCC12CCN(c1ncc(C(C)C)[nH]c1=O)CC2.
What is the InChIKey of 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is DHUAXMFWIRALFB-WUNHMLCDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10(2)12-8-18-14(15(21)19-12)20-6-4-16(5-7-20)9-22-11(3)13(16)17/h8,10-11,13H,4-7,9,17H2,1-3H3,(H,19,21)/t11-,13+/m0/s1/i13D.
What are the key properties of 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one?
3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-4-amino-4-deuterio-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 166582777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).