1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C25H32N4O2S — CID 60600346

IUPAC1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C(=O)NCCc1c[nH]c2ccccc12)N1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C25H32N4O2S/c1-18(24(30)26-12-8-20-17-28-23-7-3-2-6-22(20)23)29-14-10-19(11-15-29)25(31)27-13-9-21-5-4-16-32-21/h2-7,16-19,28H,8-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyHJEAVGMSUAGXFN-UHFFFAOYSA-N
MW452.62 g/mol
LogP3.35
Rot. Bonds9

About 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60600346) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60600346
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Name1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C(=O)NCCc1c[nH]c2ccccc12)N1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C25H32N4O2S/c1-18(24(30)26-12-8-20-17-28-23-7-3-2-6-22(20)23)29-14-10-19(11-15-29)25(31)27-13-9-21-5-4-16-32-21/h2-7,16-19,28H,8-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyHJEAVGMSUAGXFN-UHFFFAOYSA-N
XLogP3.35
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
N,N-diethyl-1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60603404
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 60593019
2-(4-hydroxypiperidin-1-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propanamide
CID 167780744

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60600346) is 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(C(=O)NCCc1c[nH]c2ccccc12)N1CCC(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is HJEAVGMSUAGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-18(24(30)26-12-8-20-17-28-23-7-3-2-6-22(20)23)29-14-10-19(11-15-29)25(31)27-13-9-21-5-4-16-32-21/h2-7,16-19,28H,8-15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 452.62 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60600346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).