N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C24H26N4OS — CID 90611714

IUPACN-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1
InChIInChI=1S/C24H26N4OS/c1-16-8-9-21-22(13-16)30-24(27-21)28-12-4-5-18(15-28)23(29)25-11-10-17-14-26-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,18,26H,4-5,10-12,15H2,1H3,(H,25,29)
InChIKeyMQBNFOABVRLAAG-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.66
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90611714) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID90611714
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1
InChIInChI=1S/C24H26N4OS/c1-16-8-9-21-22(13-16)30-24(27-21)28-12-4-5-18(15-28)23(29)25-11-10-17-14-26-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,18,26H,4-5,10-12,15H2,1H3,(H,25,29)
InChIKeyMQBNFOABVRLAAG-UHFFFAOYSA-N
XLogP4.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
CID 121128436
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
N-[2-(1H-indol-3-yl)ethyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950706
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128329
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90611714) is N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Cc1ccc2nc(N3CCCC(C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MQBNFOABVRLAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-16-8-9-21-22(13-16)30-24(27-21)28-12-4-5-18(15-28)23(29)25-11-10-17-14-26-20-7-3-2-6-19(17)20/h2-3,6-9,13-14,18,26H,4-5,10-12,15H2,1H3,(H,25,29).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 4.66, 5 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-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90611714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).