2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone

C25H29N3O — CID 86581556

IUPAC2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C25H29N3O/c29-25(19-26-12-10-21(11-13-26)16-20-6-2-1-3-7-20)27-14-15-28-23(18-27)17-22-8-4-5-9-24(22)28/h1-9,17,21H,10-16,18-19H2
InChIKeyGPCZZPXAFCCNBC-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone

2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone (PubChem CID 86581556) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
PubChem CID86581556
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C25H29N3O/c29-25(19-26-12-10-21(11-13-26)16-20-6-2-1-3-7-20)27-14-15-28-23(18-27)17-22-8-4-5-9-24(22)28/h1-9,17,21H,10-16,18-19H2
InChIKeyGPCZZPXAFCCNBC-UHFFFAOYSA-N
XLogP3.94
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121783

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone (CID 86581556) is 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone is O=C(CN1CCC(Cc2ccccc2)CC1)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The InChIKey is GPCZZPXAFCCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-25(19-26-12-10-21(11-13-26)16-20-6-2-1-3-7-20)27-14-15-28-23(18-27)17-22-8-4-5-9-24(22)28/h1-9,17,21H,10-16,18-19H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone has a molecular weight of 387.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone is sourced from PubChem (CID 86581556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).