1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

C16H21N3O2S — CID 72838152

IUPAC1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H21N3O2S/c20-16(18-6-5-15-17-7-10-22-15)13-3-1-8-19(11-13)12-14-4-2-9-21-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H,18,20)
InChIKeyCXWWVZMNCRBPAR-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.31
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 72838152) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID72838152
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H21N3O2S/c20-16(18-6-5-15-17-7-10-22-15)13-3-1-8-19(11-13)12-14-4-2-9-21-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H,18,20)
InChIKeyCXWWVZMNCRBPAR-UHFFFAOYSA-N
XLogP2.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 72838152) is 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1nccs1)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is CXWWVZMNCRBPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-16(18-6-5-15-17-7-10-22-15)13-3-1-8-19(11-13)12-14-4-2-9-21-14/h2,4,7,9-10,13H,1,3,5-6,8,11-12H2,(H,18,20).
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).