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

C20H38N4O — CID 135213361

IUPAC7-[(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
SMILESCC(C)N1CCN2CC(C[C@@H](C)N3CCN(C4COC4)CC3)CC2C1
InChIInChI=1S/C20H38N4O/c1-16(2)23-8-9-24-12-18(11-19(24)13-23)10-17(3)21-4-6-22(7-5-21)20-14-25-15-20/h16-20H,4-15H2,1-3H3/t17-,18?,19?/m1/s1
InChIKeyXACYNADDEJNPNE-LMDPOFIKSA-N
MW350.55 g/mol
LogP1.20
Rot. Bonds5

About 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

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 (PubChem CID 135213361) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID135213361
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name7-[(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
SMILESCC(C)N1CCN2CC(C[C@@H](C)N3CCN(C4COC4)CC3)CC2C1
InChIInChI=1S/C20H38N4O/c1-16(2)23-8-9-24-12-18(11-19(24)13-23)10-17(3)21-4-6-22(7-5-21)20-14-25-15-20/h16-20H,4-15H2,1-3H3/t17-,18?,19?/m1/s1
InChIKeyXACYNADDEJNPNE-LMDPOFIKSA-N
XLogP1.20
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCN2CC(C[C@@H](C)N3CCN(C4COC4)CC3)CC2C1.
What is the InChIKey of 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?
The InChIKey is XACYNADDEJNPNE-LMDPOFIKSA-N. The full InChI is InChI=1S/C20H38N4O/c1-16(2)23-8-9-24-12-18(11-19(24)13-23)10-17(3)21-4-6-22(7-5-21)20-14-25-15-20/h16-20H,4-15H2,1-3H3/t17-,18?,19?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 350.55 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135213361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).