(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C14H18N4O2 — CID 56826323

IUPAC(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(n3cncn3)C2)o1
InChIInChI=1S/C14H18N4O2/c1-2-12-5-6-13(20-12)14(19)17-7-3-4-11(8-17)18-10-15-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyILVDOLWXJQZHBW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.91
Rot. Bonds3

About (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 56826323) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID56826323
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(n3cncn3)C2)o1
InChIInChI=1S/C14H18N4O2/c1-2-12-5-6-13(20-12)14(19)17-7-3-4-11(8-17)18-10-15-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyILVDOLWXJQZHBW-UHFFFAOYSA-N
XLogP1.91
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazin-1-yl)-methanone
CID 6602648
[4-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 3208558
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2385612
[4-[1-(1-Cyclohexyltetrazol-5-yl)butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3208538
Furan-2-yl-{4-[1-(2-methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-piperazin-1-yl}-methanone
CID 3209259
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-butyl}-piperazin-1-yl)-methanone
CID 6603074
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazin-1-yl)-methanone
CID 6603457
Furan-2-yl-{4-[1-(1-isopropyl-1H-tetrazol-5-yl)-pentyl]-piperazin-1-yl}-methanone
CID 24792463
N-[4-(1H-1,2,4-Triazol-1-yl)butyl]-2-furancarboxamide
CID 20266540
N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 42959734
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45807961
N-(furan-2-ylmethyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 45811337

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 56826323) is (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC(n3cncn3)C2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is ILVDOLWXJQZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-12-5-6-13(20-12)14(19)17-7-3-4-11(8-17)18-10-15-9-16-18/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
(5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56826323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).