N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C20H22N4O3 — CID 83277348

IUPACN-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccco4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O3/c1-14-4-6-16(7-5-14)19-22-23-20(27-19)24-10-8-15(9-11-24)18(25)21-13-17-3-2-12-26-17/h2-7,12,15H,8-11,13H2,1H3,(H,21,25)
InChIKeyYHQZRTGZYCNWQF-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.17
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 83277348) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID83277348
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccco4)CC3)o2)cc1
InChIInChI=1S/C20H22N4O3/c1-14-4-6-16(7-5-14)19-22-23-20(27-19)24-10-8-15(9-11-24)18(25)21-13-17-3-2-12-26-17/h2-7,12,15H,8-11,13H2,1H3,(H,21,25)
InChIKeyYHQZRTGZYCNWQF-UHFFFAOYSA-N
XLogP3.17
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 83277348) is N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccco4)CC3)o2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YHQZRTGZYCNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-4-6-16(7-5-14)19-22-23-20(27-19)24-10-8-15(9-11-24)18(25)21-13-17-3-2-12-26-17/h2-7,12,15H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 83277348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).