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

C16H20N4O3 — CID 53338101

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O3/c21-16(17-10-12-4-3-9-22-12)20-8-2-1-5-13(20)15-18-14(19-23-15)11-6-7-11/h3-4,9,11,13H,1-2,5-8,10H2,(H,17,21)
InChIKeyUSDWQHKFJOSEQJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.98
Rot. Bonds4

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

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 53338101) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID53338101
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C16H20N4O3/c21-16(17-10-12-4-3-9-22-12)20-8-2-1-5-13(20)15-18-14(19-23-15)11-6-7-11/h3-4,9,11,13H,1-2,5-8,10H2,(H,17,21)
InChIKeyUSDWQHKFJOSEQJ-UHFFFAOYSA-N
XLogP2.98
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide (CID 53338101) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccco1)N1CCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is USDWQHKFJOSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(17-10-12-4-3-9-22-12)20-8-2-1-5-13(20)15-18-14(19-23-15)11-6-7-11/h3-4,9,11,13H,1-2,5-8,10H2,(H,17,21).
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 53338101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).