4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C23H28N4O — CID 113106929

IUPAC4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H28N4O/c1-18-5-4-6-19(15-18)16-25-23(28)27-13-11-26(12-14-27)10-9-20-17-24-22-8-3-2-7-21(20)22/h2-8,15,17,24H,9-14,16H2,1H3,(H,25,28)
InChIKeyWUVHGTZRPXPZKI-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.55
Rot. Bonds5

About 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106929) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106929
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H28N4O/c1-18-5-4-6-19(15-18)16-25-23(28)27-13-11-26(12-14-27)10-9-20-17-24-22-8-3-2-7-21(20)22/h2-8,15,17,24H,9-14,16H2,1H3,(H,25,28)
InChIKeyWUVHGTZRPXPZKI-UHFFFAOYSA-N
XLogP3.55
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-[2-(1H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108556
3-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412528
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-[(3-methylphenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119063808
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106929) is 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CNC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is WUVHGTZRPXPZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18-5-4-6-19(15-18)16-25-23(28)27-13-11-26(12-14-27)10-9-20-17-24-22-8-3-2-7-21(20)22/h2-8,15,17,24H,9-14,16H2,1H3,(H,25,28).
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).