1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide

C19H27N5O2 — CID 24733059

IUPAC1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1C(=O)NC
InChIInChI=1S/C19H27N5O2/c1-3-21-19(26)24-11-10-23(13-17(24)18(25)20-2)9-8-14-12-22-16-7-5-4-6-15(14)16/h4-7,12,17,22H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyKVACMDHIZZPHTO-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.17
Rot. Bonds5

About 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide

1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide (PubChem CID 24733059) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
PubChem CID24733059
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1C(=O)NC
InChIInChI=1S/C19H27N5O2/c1-3-21-19(26)24-11-10-23(13-17(24)18(25)20-2)9-8-14-12-22-16-7-5-4-6-15(14)16/h4-7,12,17,22H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyKVACMDHIZZPHTO-UHFFFAOYSA-N
XLogP1.17
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide 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

1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide
CID 24733052
[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460995
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide (CID 24733059) is 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide is CCNC(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1C(=O)NC.
What is the InChIKey of 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
The InChIKey is KVACMDHIZZPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-21-19(26)24-11-10-23(13-17(24)18(25)20-2)9-8-14-12-22-16-7-5-4-6-15(14)16/h4-7,12,17,22H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide?
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 24733059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).