N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide

C28H34Cl2N4O — CID 175603645

IUPACN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3ccccc3[nH]2)CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1
InChIInChI=1S/C28H34Cl2N4O/c1-28(33-27(35)24-18-20-5-2-3-8-23(20)32-24)11-9-19(10-12-28)17-25(34-15-13-31-14-16-34)21-6-4-7-22(29)26(21)30/h2-8,18-19,25,31-32H,9-17H2,1H3,(H,33,35)
InChIKeyMEXLXWPTYFFMLG-UHFFFAOYSA-N
MW513.51 g/mol
LogP6.19
Rot. Bonds6

About N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide

N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide (PubChem CID 175603645) has the molecular formula C28H34Cl2N4O and a molecular weight of 513.51 g/mol. Its IUPAC name is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide
PubChem CID175603645
Molecular FormulaC28H34Cl2N4O
Molecular Weight513.51 g/mol
Exact Mass512.21
IUPAC NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3ccccc3[nH]2)CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1
InChIInChI=1S/C28H34Cl2N4O/c1-28(33-27(35)24-18-20-5-2-3-8-23(20)32-24)11-9-19(10-12-28)17-25(34-15-13-31-14-16-34)21-6-4-7-22(29)26(21)30/h2-8,18-19,25,31-32H,9-17H2,1H3,(H,33,35)
InChIKeyMEXLXWPTYFFMLG-UHFFFAOYSA-N
XLogP6.19
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.51
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-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-(4-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 114696538
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
2-(1-piperazin-1-ylethyl)-1H-indole
CID 116995173
N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-1-methylcyclohexyl]furan-2-carboxamide
CID 175603646
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
CID 175603541
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
1-[(1S)-1-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-1-(2-chloro-5-nitrophenyl)-2-cyclopropylethyl]piperazine
CID 171291282
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide (CID 175603645) is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide is CC1(NC(=O)c2cc3ccccc3[nH]2)CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1.
What is the InChIKey of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is MEXLXWPTYFFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2N4O/c1-28(33-27(35)24-18-20-5-2-3-8-23(20)32-24)11-9-19(10-12-28)17-25(34-15-13-31-14-16-34)21-6-4-7-22(29)26(21)30/h2-8,18-19,25,31-32H,9-17H2,1H3,(H,33,35).
What are the key properties of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide?
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 513.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylcyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 175603645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).