4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

C28H37N5O2 — CID 10814424

IUPAC4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H37N5O2/c1-31-15-17-32(18-16-31)26-19-23(9-10-27(26)35-2)30-28(34)33-13-11-21(12-14-33)7-8-22-20-29-25-6-4-3-5-24(22)25/h3-6,9-10,19-21,29H,7-8,11-18H2,1-2H3,(H,30,34)
InChIKeyMLYDWVQYHWPBIQ-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.80
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 10814424) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID10814424
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H37N5O2/c1-31-15-17-32(18-16-31)26-19-23(9-10-27(26)35-2)30-28(34)33-13-11-21(12-14-33)7-8-22-20-29-25-6-4-3-5-24(22)25/h3-6,9-10,19-21,29H,7-8,11-18H2,1-2H3,(H,30,34)
InChIKeyMLYDWVQYHWPBIQ-UHFFFAOYSA-N
XLogP4.80
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-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

Lanepitant
CID 3086681
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
Lensiprazine
CID 9954003
AZ-5104
CID 71496460
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
3-{[4-(2-ethoxyphenyl)-1-piperazinyl]methyl}-1H-indole
CID 3504099
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-phenyl-piperazin-1-yl)-acetamide
CID 9829083
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-phenylpiperidine-1-carboxamide
CID 9959983
LY303870;LY-303870;LY 303870
CID 10257218
4-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 10530035
N-[1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 10698096
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (CID 10814424) is 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is MLYDWVQYHWPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-31-15-17-32(18-16-31)26-19-23(9-10-27(26)35-2)30-28(34)33-13-11-21(12-14-33)7-8-22-20-29-25-6-4-3-5-24(22)25/h3-6,9-10,19-21,29H,7-8,11-18H2,1-2H3,(H,30,34).
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 10814424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).