2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane

C17H32N4O — CID 164553701

IUPAC2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCN2CC(CN3CC4(CNCCO4)C3)C[C@H]2C1
InChIInChI=1S/C17H32N4O/c1-14(2)20-4-5-21-9-15(7-16(21)10-20)8-19-12-17(13-19)11-18-3-6-22-17/h14-16,18H,3-13H2,1-2H3/t15?,16-/m0/s1
InChIKeyZHZHRTVHOGOYEW-LYKKTTPLSA-N
MW308.47 g/mol
LogP0.08
Rot. Bonds3

About 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane

2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 164553701) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID164553701
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CCN2CC(CN3CC4(CNCCO4)C3)C[C@H]2C1
InChIInChI=1S/C17H32N4O/c1-14(2)20-4-5-21-9-15(7-16(21)10-20)8-19-12-17(13-19)11-18-3-6-22-17/h14-16,18H,3-13H2,1-2H3/t15?,16-/m0/s1
InChIKeyZHZHRTVHOGOYEW-LYKKTTPLSA-N
XLogP0.08
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

7-[(2R)-2-[4-(oxetan-3-yl)piperazin-1-yl]propyl]-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 135213361
(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 118230703
(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
4-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 130315957
1-methyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutyl]piperazine
CID 176935979
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
(7R)-7-[(1R)-1-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 135213268
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 120901550
6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-6-azabicyclo[3.1.1]heptane
CID 166461762
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508

Frequently Asked Questions

What is the IUPAC name of 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane (CID 164553701) is 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane is CC(C)N1CCN2CC(CN3CC4(CNCCO4)C3)C[C@H]2C1.
What is the InChIKey of 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is ZHZHRTVHOGOYEW-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H32N4O/c1-14(2)20-4-5-21-9-15(7-16(21)10-20)8-19-12-17(13-19)11-18-3-6-22-17/h14-16,18H,3-13H2,1-2H3/t15?,16-/m0/s1.
What are the key properties of 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 308.47 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8aS)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 164553701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).