3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

C26H29N3O2S — CID 66885876

IUPAC3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1
InChIInChI=1S/C26H29N3O2S/c1-19-17-29(26(30)28-24-7-6-20(2)27-16-24)11-8-23(19)14-22-4-3-5-25(15-22)31-12-9-21-10-13-32-18-21/h3-7,10,13-16,18-19H,8-9,11-12,17H2,1-2H3,(H,28,30)
InChIKeyYLVGTXKWQAEFKT-UHFFFAOYSA-N
MW447.60 g/mol
LogP6.03
Rot. Bonds6

About 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66885876) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66885876
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1
InChIInChI=1S/C26H29N3O2S/c1-19-17-29(26(30)28-24-7-6-20(2)27-16-24)11-8-23(19)14-22-4-3-5-25(15-22)31-12-9-21-10-13-32-18-21/h3-7,10,13-16,18-19H,8-9,11-12,17H2,1-2H3,(H,28,30)
InChIKeyYLVGTXKWQAEFKT-UHFFFAOYSA-N
XLogP6.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66885876) is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=Cc3cccc(OCCc4ccsc4)c3)C(C)C2)cn1.
What is the InChIKey of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is YLVGTXKWQAEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-19-17-29(26(30)28-24-7-6-20(2)27-16-24)11-8-23(19)14-22-4-3-5-25(15-22)31-12-9-21-10-13-32-18-21/h3-7,10,13-16,18-19H,8-9,11-12,17H2,1-2H3,(H,28,30).
What are the key properties of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide?
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66885876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).