1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide

C33H39ClN4O3 — CID 58967624

IUPAC1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C33H39ClN4O3/c1-25-7-3-4-8-26(25)23-35-33(39)30-24-38(32-29(30)9-5-10-31(32)40-2)16-6-15-36-17-19-37(20-18-36)21-22-41-28-13-11-27(34)12-14-28/h3-5,7-14,24H,6,15-23H2,1-2H3,(H,35,39)
InChIKeyYEPQRWMBXXNAAB-UHFFFAOYSA-N
MW575.15 g/mol
LogP5.63
Rot. Bonds12

About 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide

1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 58967624) has the molecular formula C33H39ClN4O3 and a molecular weight of 575.15 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
PubChem CID58967624
Molecular FormulaC33H39ClN4O3
Molecular Weight575.15 g/mol
Exact Mass574.27
IUPAC Name1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C33H39ClN4O3/c1-25-7-3-4-8-26(25)23-35-33(39)30-24-38(32-29(30)9-5-10-31(32)40-2)16-6-15-36-17-19-37(20-18-36)21-22-41-28-13-11-27(34)12-14-28/h3-5,7-14,24H,6,15-23H2,1-2H3,(H,35,39)
InChIKeyYEPQRWMBXXNAAB-UHFFFAOYSA-N
XLogP5.63
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.15
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide (CID 58967624) is 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
The InChIKey is YEPQRWMBXXNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O3/c1-25-7-3-4-8-26(25)23-35-33(39)30-24-38(32-29(30)9-5-10-31(32)40-2)16-6-15-36-17-19-37(20-18-36)21-22-41-28-13-11-27(34)12-14-28/h3-5,7-14,24H,6,15-23H2,1-2H3,(H,35,39).
What are the key properties of 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide?
1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 575.15 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 58967624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).