N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C29H28N4O2S — CID 20940820

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C29H28N4O2S/c34-28(30-15-11-22-19-31-24-7-3-2-6-23(22)24)21-12-16-32(17-13-21)29(35)26-9-10-27(36-26)33-18-14-20-5-1-4-8-25(20)33/h1-10,14,18-19,21,31H,11-13,15-17H2,(H,30,34)
InChIKeyVJYJECCKACLFMS-UHFFFAOYSA-N
MW496.64 g/mol
LogP5.38
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 20940820) has the molecular formula C29H28N4O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID20940820
Molecular FormulaC29H28N4O2S
Molecular Weight496.64 g/mol
Exact Mass496.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C29H28N4O2S/c34-28(30-15-11-22-19-31-24-7-3-2-6-23(22)24)21-12-16-32(17-13-21)29(35)26-9-10-27(36-26)33-18-14-20-5-1-4-8-25(20)33/h1-10,14,18-19,21,31H,11-13,15-17H2,(H,30,34)
InChIKeyVJYJECCKACLFMS-UHFFFAOYSA-N
XLogP5.38
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633597
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 20940820) is N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VJYJECCKACLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S/c34-28(30-15-11-22-19-31-24-7-3-2-6-23(22)24)21-12-16-32(17-13-21)29(35)26-9-10-27(36-26)33-18-14-20-5-1-4-8-25(20)33/h1-10,14,18-19,21,31H,11-13,15-17H2,(H,30,34).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 496.64 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20940820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).