1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide

C21H24N4O3 — CID 24733052

IUPAC1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N4O3/c1-22-20(26)18-14-24(10-11-25(18)21(27)19-7-4-12-28-19)9-8-15-13-23-17-6-3-2-5-16(15)17/h2-7,12-13,18,23H,8-11,14H2,1H3,(H,22,26)
InChIKeyGSGRGKFOZAPCNA-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.88
Rot. Bonds5

About 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide

1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide (PubChem CID 24733052) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide
PubChem CID24733052
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N4O3/c1-22-20(26)18-14-24(10-11-25(18)21(27)19-7-4-12-28-19)9-8-15-13-23-17-6-3-2-5-16(15)17/h2-7,12-13,18,23H,8-11,14H2,1H3,(H,22,26)
InChIKeyGSGRGKFOZAPCNA-UHFFFAOYSA-N
XLogP1.88
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059
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-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460995
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
(3R,4R)-4-[[2-(1H-indol-3-yl)acetyl]amino]-N,1-dimethylpyrrolidine-3-carboxamide
CID 155983577
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide (CID 24733052) is 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(CCc2c[nH]c3ccccc23)CCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is GSGRGKFOZAPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-22-20(26)18-14-24(10-11-25(18)21(27)19-7-4-12-28-19)9-8-15-13-23-17-6-3-2-5-16(15)17/h2-7,12-13,18,23H,8-11,14H2,1H3,(H,22,26).
What are the key properties of 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide?
1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 24733052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).