N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide

C22H27N3O2S — CID 55895405

IUPACN-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2csc3c2CCC(C)C3)C1
InChIInChI=1S/C22H27N3O2S/c1-14-7-8-17-18(13-28-19(17)11-14)22(27)25-10-4-6-16(12-25)21(26)24-20-15(2)5-3-9-23-20/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,23,24,26)
InChIKeyZQUZREBAYIVHSB-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.07
Rot. Bonds3

About N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 55895405) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
PubChem CID55895405
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2csc3c2CCC(C)C3)C1
InChIInChI=1S/C22H27N3O2S/c1-14-7-8-17-18(13-28-19(17)11-14)22(27)25-10-4-6-16(12-25)21(26)24-20-15(2)5-3-9-23-20/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,23,24,26)
InChIKeyZQUZREBAYIVHSB-UHFFFAOYSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 48990471
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide (CID 55895405) is N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2csc3c2CCC(C)C3)C1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZQUZREBAYIVHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-14-7-8-17-18(13-28-19(17)11-14)22(27)25-10-4-6-16(12-25)21(26)24-20-15(2)5-3-9-23-20/h3,5,9,13-14,16H,4,6-8,10-12H2,1-2H3,(H,23,24,26).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55895405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).