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

C22H26N4O2 — CID 108989627

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-19-8-6-18(7-9-19)25-12-14-26(15-13-25)22(27)23-11-10-17-16-24-21-5-3-2-4-20(17)21/h2-9,16,24H,10-15H2,1H3,(H,23,27)
InChIKeyNZTQJMZJOXBADN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 108989627) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID108989627
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-19-8-6-18(7-9-19)25-12-14-26(15-13-25)22(27)23-11-10-17-16-24-21-5-3-2-4-20(17)21/h2-9,16,24H,10-15H2,1H3,(H,23,27)
InChIKeyNZTQJMZJOXBADN-UHFFFAOYSA-N
XLogP3.25
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 109002314
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N'-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 40785289
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290264
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530712
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002111

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 108989627) is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NZTQJMZJOXBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-19-8-6-18(7-9-19)25-12-14-26(15-13-25)22(27)23-11-10-17-16-24-21-5-3-2-4-20(17)21/h2-9,16,24H,10-15H2,1H3,(H,23,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108989627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).