(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

C19H36N4O — CID 135213268

IUPAC(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
SMILESCC(C)N1CCN2C[C@H]([C@@H](C)N3CCN(C4COC4)CC3)CC2C1
InChIInChI=1S/C19H36N4O/c1-15(2)22-8-9-23-11-17(10-18(23)12-22)16(3)20-4-6-21(7-5-20)19-13-24-14-19/h15-19H,4-14H2,1-3H3/t16-,17-,18?/m1/s1
InChIKeyGVTVLKUJPVVTJP-OWZOALSMSA-N
MW336.52 g/mol
LogP0.81
Rot. Bonds4

About (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

(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 (PubChem CID 135213268) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135213268
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(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
SMILESCC(C)N1CCN2C[C@H]([C@@H](C)N3CCN(C4COC4)CC3)CC2C1
InChIInChI=1S/C19H36N4O/c1-15(2)22-8-9-23-11-17(10-18(23)12-22)16(3)20-4-6-21(7-5-20)19-13-24-14-19/h15-19H,4-14H2,1-3H3/t16-,17-,18?/m1/s1
InChIKeyGVTVLKUJPVVTJP-OWZOALSMSA-N
XLogP0.81
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1CCN2C[C@H]([C@@H](C)N3CCN(C4COC4)CC3)CC2C1.
What is the InChIKey of (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?
The InChIKey is GVTVLKUJPVVTJP-OWZOALSMSA-N. The full InChI is InChI=1S/C19H36N4O/c1-15(2)22-8-9-23-11-17(10-18(23)12-22)16(3)20-4-6-21(7-5-20)19-13-24-14-19/h15-19H,4-14H2,1-3H3/t16-,17-,18?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 336.52 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135213268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).