2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C26H34N4O2 — CID 11293449

IUPAC2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1CN(c2cccc3ccccc23)CCN1CCCCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C26H34N4O2/c1-20-18-28(23-11-6-9-21-8-2-3-10-22(21)23)17-16-27(20)13-4-5-14-29-19-25(31)30-15-7-12-24(30)26(29)32/h2-3,6,8-11,20,24H,4-5,7,12-19H2,1H3/t20-,24?/m1/s1
InChIKeyIPDAZPXSBHMPGF-CGHJUBPDSA-N
MW434.58 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 11293449) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID11293449
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1CN(c2cccc3ccccc23)CCN1CCCCN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C26H34N4O2/c1-20-18-28(23-11-6-9-21-8-2-3-10-22(21)23)17-16-27(20)13-4-5-14-29-19-25(31)30-15-7-12-24(30)26(29)32/h2-3,6,8-11,20,24H,4-5,7,12-19H2,1H3/t20-,24?/m1/s1
InChIKeyIPDAZPXSBHMPGF-CGHJUBPDSA-N
XLogP2.96
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 11293449) is 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is C[C@@H]1CN(c2cccc3ccccc23)CCN1CCCCN1CC(=O)N2CCCC2C1=O.
What is the InChIKey of 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is IPDAZPXSBHMPGF-CGHJUBPDSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20-18-28(23-11-6-9-21-8-2-3-10-22(21)23)17-16-27(20)13-4-5-14-29-19-25(31)30-15-7-12-24(30)26(29)32/h2-3,6,8-11,20,24H,4-5,7,12-19H2,1H3/t20-,24?/m1/s1.
What are the key properties of 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 434.58 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 11293449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).