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

C31H38N4O2 — CID 46272991

IUPAC2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H38N4O2/c1-31(30(37)32-25-13-6-3-7-14-25)22-34-27-15-9-8-12-24(27)20-28(34)29(36)35(31)26-16-18-33(19-17-26)21-23-10-4-2-5-11-23/h2,4-5,8-12,15,20,25-26H,3,6-7,13-14,16-19,21-22H2,1H3,(H,32,37)
InChIKeyWWUBDHIWTWEMET-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.97
Rot. Bonds5

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

2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46272991) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46272991
Molecular FormulaC31H38N4O2
Molecular Weight498.67 g/mol
Exact Mass498.30
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H38N4O2/c1-31(30(37)32-25-13-6-3-7-14-25)22-34-27-15-9-8-12-24(27)20-28(34)29(36)35(31)26-16-18-33(19-17-26)21-23-10-4-2-5-11-23/h2,4-5,8-12,15,20,25-26H,3,6-7,13-14,16-19,21-22H2,1H3,(H,32,37)
InChIKeyWWUBDHIWTWEMET-UHFFFAOYSA-N
XLogP4.97
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(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
N-benzyl-2-(1-benzylpiperidin-4-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273142
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
N-cycloheptyl-2-[(4-ethoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273123
(3R)-N-cyclohexyl-2-[(3-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739495
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922
(3R)-N-cyclohexyl-3-methyl-1-oxo-2-[(4-propoxyphenyl)methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721776
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756892

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46272991) is 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is WWUBDHIWTWEMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-31(30(37)32-25-13-6-3-7-14-25)22-34-27-15-9-8-12-24(27)20-28(34)29(36)35(31)26-16-18-33(19-17-26)21-23-10-4-2-5-11-23/h2,4-5,8-12,15,20,25-26H,3,6-7,13-14,16-19,21-22H2,1H3,(H,32,37).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).