N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C32H34N4O2 — CID 46273142

IUPACN-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H34N4O2/c1-32(31(38)33-21-24-10-4-2-5-11-24)23-35-28-15-9-8-14-26(28)20-29(35)30(37)36(32)27-16-18-34(19-17-27)22-25-12-6-3-7-13-25/h2-15,20,27H,16-19,21-23H2,1H3,(H,33,38)
InChIKeyDDZXBADWEUTPOA-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.84
Rot. Bonds6

About N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46273142) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46273142
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H34N4O2/c1-32(31(38)33-21-24-10-4-2-5-11-24)23-35-28-15-9-8-14-26(28)20-29(35)30(37)36(32)27-16-18-34(19-17-27)22-25-12-6-3-7-13-25/h2-15,20,27H,16-19,21-23H2,1H3,(H,33,38)
InChIKeyDDZXBADWEUTPOA-UHFFFAOYSA-N
XLogP4.84
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46272991
(3S)-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740194
(3R)-N-benzyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704851
(11R)-10-(1-benzylpiperidin-4-yl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737626
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
N-benzyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273132
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261279
(3R)-N-benzyl-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740266
(3R)-N-benzyl-3-methyl-1-oxo-2-[(2S)-2-phenylpropyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740278
(3S)-N-benzyl-2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 98225429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46273142) is N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is DDZXBADWEUTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-32(31(38)33-21-24-10-4-2-5-11-24)23-35-28-15-9-8-14-26(28)20-29(35)30(37)36(32)27-16-18-34(19-17-27)22-25-12-6-3-7-13-25/h2-15,20,27H,16-19,21-23H2,1H3,(H,33,38).
What are the key properties of N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46273142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).