N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H19N3O3S — CID 17453330

IUPACN-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C17H19N3O3S/c1-23-15-5-4-13(11-18-15)19-16(21)12-6-8-20(9-7-12)17(22)14-3-2-10-24-14/h2-5,10-12H,6-9H2,1H3,(H,19,21)
InChIKeyJQCWVUQSILJTKK-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.64
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 17453330) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID17453330
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C17H19N3O3S/c1-23-15-5-4-13(11-18-15)19-16(21)12-6-8-20(9-7-12)17(22)14-3-2-10-24-14/h2-5,10-12H,6-9H2,1H3,(H,19,21)
InChIKeyJQCWVUQSILJTKK-UHFFFAOYSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 17453330) is N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JQCWVUQSILJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-15-5-4-13(11-18-15)19-16(21)12-6-8-20(9-7-12)17(22)14-3-2-10-24-14/h2-5,10-12H,6-9H2,1H3,(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17453330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).