1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide

C31H33Cl2N3O3 — CID 58968192

IUPAC1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12
InChIInChI=1S/C31H33Cl2N3O3/c1-38-29-11-4-10-27-28(31(37)34-20-22-6-2-7-23(32)18-22)21-36(30(27)29)15-5-14-35-16-12-25(13-17-35)39-26-9-3-8-24(33)19-26/h2-4,6-11,18-19,21,25H,5,12-17,20H2,1H3,(H,34,37)
InChIKeyBTZMZUUDHQLCBE-UHFFFAOYSA-N
MW566.53 g/mol
LogP6.82
Rot. Bonds10

About 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide

1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide (PubChem CID 58968192) has the molecular formula C31H33Cl2N3O3 and a molecular weight of 566.53 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
PubChem CID58968192
Molecular FormulaC31H33Cl2N3O3
Molecular Weight566.53 g/mol
Exact Mass565.19
IUPAC Name1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12
InChIInChI=1S/C31H33Cl2N3O3/c1-38-29-11-4-10-27-28(31(37)34-20-22-6-2-7-23(32)18-22)21-36(30(27)29)15-5-14-35-16-12-25(13-17-35)39-26-9-3-8-24(33)19-26/h2-4,6-11,18-19,21,25H,5,12-17,20H2,1H3,(H,34,37)
InChIKeyBTZMZUUDHQLCBE-UHFFFAOYSA-N
XLogP6.82
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.53
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-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

N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
CID 58968068
N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 58967586
1-[3-[3-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide
CID 58967756
[1-[3-[4-(3-chlorophenoxy)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58968527
1-[3-[(1-benzylpyrrolidin-3-yl)amino]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967931
1-[3-[(1R)-7-[2-(4-chlorophenyl)ethyl]-4-azatricyclo[3.3.0.01,3]octan-4-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 143503305
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967930
7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 58968285
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58968472
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1S,4S)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 69444839
1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 163461256
N-[(3,4-dichlorophenyl)methyl]-7-ethyl-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 58967876

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?
The IUPAC name of 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide (CID 58968192) is 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12.
What is the InChIKey of 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?
The InChIKey is BTZMZUUDHQLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33Cl2N3O3/c1-38-29-11-4-10-27-28(31(37)34-20-22-6-2-7-23(32)18-22)21-36(30(27)29)15-5-14-35-16-12-25(13-17-35)39-26-9-3-8-24(33)19-26/h2-4,6-11,18-19,21,25H,5,12-17,20H2,1H3,(H,34,37).
What are the key properties of 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide?
1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide has a molecular weight of 566.53 g/mol, XLogP of 6.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide is sourced from PubChem (CID 58968192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).