2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C20H28N4 — CID 58189345

IUPAC2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESc1cc2c(cc1CN1CCCCC1)nc1n2CCN(C2CCC2)C1
InChIInChI=1S/C20H28N4/c1-2-9-22(10-3-1)14-16-7-8-19-18(13-16)21-20-15-23(11-12-24(19)20)17-5-4-6-17/h7-8,13,17H,1-6,9-12,14-15H2
InChIKeyWIOLERYEZSCNTP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.39
Rot. Bonds3

About 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 58189345) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID58189345
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESc1cc2c(cc1CN1CCCCC1)nc1n2CCN(C2CCC2)C1
InChIInChI=1S/C20H28N4/c1-2-9-22(10-3-1)14-16-7-8-19-18(13-16)21-20-15-23(11-12-24(19)20)17-5-4-6-17/h7-8,13,17H,1-6,9-12,14-15H2
InChIKeyWIOLERYEZSCNTP-UHFFFAOYSA-N
XLogP3.39
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51002040
2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
CID 138579359
1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine
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3-cyclobutyl-8-(4-cyclobutylpiperazin-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063723
N-(2-cyclohexyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
CID 666129
N-(2-cyclopropyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 29112310
3-cyclobutyl-N-[(4-methylphenyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-amine
CID 58063772
3-cyclobutyl-8-phenyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
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15-methyl-8,11,18-triazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),12(17),13,15-tetraene
CID 58189332
3-cyclobutyl-8-(3,7-dimethyl-5,6-dihydro-1,2,4-triazepin-4-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 90704188
3-cyclobutyl-8-(2-methylpyrimidin-5-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063862
3-cyclobutyl-8-pyridin-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 58189345) is 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is c1cc2c(cc1CN1CCCCC1)nc1n2CCN(C2CCC2)C1.
What is the InChIKey of 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is WIOLERYEZSCNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-9-22(10-3-1)14-16-7-8-19-18(13-16)21-20-15-23(11-12-24(19)20)17-5-4-6-17/h7-8,13,17H,1-6,9-12,14-15H2.
What are the key properties of 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 324.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 58189345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).