2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane

About 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane

2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane (PubChem CID 143130954) has the molecular formula C35H49ClN4O3 and a molecular weight of 609.26 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane.

Molecular Properties

Compound Name	2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane
PubChem CID	143130954
Molecular Formula	C35H49ClN4O3
Molecular Weight	609.26 g/mol
Exact Mass	608.35
IUPAC Name	2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane
SMILES	CC.CCC1CC(C)CN(CCCNC(=O)C2(C)Cn3c(cc4ccc(OC)cc43)C(=O)N2CCc2ccc(Cl)cc2)C1
InChI	InChI=1S/C33H43ClN4O3.C2H6/c1-5-24-17-23(2)20-36(21-24)15-6-14-35-32(40)33(3)22-37-29-19-28(41-4)12-9-26(29)18-30(37)31(39)38(33)16-13-25-7-10-27(34)11-8-25;1-2/h7-12,18-19,23-24H,5-6,13-17,20-22H2,1-4H3,(H,35,40);1-2H3
InChIKey	AREZEBAPIJYNRU-UHFFFAOYSA-N
XLogP	6.66
TPSA	66.81 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.26
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane?

The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane (CID 143130954) is 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane.

What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane?

The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane is CC.CCC1CC(C)CN(CCCNC(=O)C2(C)Cn3c(cc4ccc(OC)cc43)C(=O)N2CCc2ccc(Cl)cc2)C1.

What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane?

The InChIKey is AREZEBAPIJYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43ClN4O3.C2H6/c1-5-24-17-23(2)20-36(21-24)15-6-14-35-32(40)33(3)22-37-29-19-28(41-4)12-9-26(29)18-30(37)31(39)38(33)16-13-25-7-10-27(34)11-8-25;1-2/h7-12,18-19,23-24H,5-6,13-17,20-22H2,1-4H3,(H,35,40);1-2H3.

What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane?

2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane has a molecular weight of 609.26 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)ethyl]-N-[3-(3-ethyl-5-methylpiperidin-1-yl)propyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide;ethane is sourced from PubChem (CID 143130954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).