1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

C22H23N3O3S — CID 126474572

IUPAC1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1cccs1
InChIInChI=1S/C22H23N3O3S/c1-15-5-2-10-23-19(15)20(18-7-4-14-29-18)24-21(26)16-8-11-25(12-9-16)22(27)17-6-3-13-28-17/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyLYRUTPMNKKWSLI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.80
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 126474572) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
PubChem CID126474572
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1cccs1
InChIInChI=1S/C22H23N3O3S/c1-15-5-2-10-23-19(15)20(18-7-4-14-29-18)24-21(26)16-8-11-25(12-9-16)22(27)17-6-3-13-28-17/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3,(H,24,26)
InChIKeyLYRUTPMNKKWSLI-UHFFFAOYSA-N
XLogP3.80
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (CID 126474572) is 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is Cc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1cccs1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is LYRUTPMNKKWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-5-2-10-23-19(15)20(18-7-4-14-29-18)24-21(26)16-8-11-25(12-9-16)22(27)17-6-3-13-28-17/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3,(H,24,26).
What are the key properties of 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126474572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).