4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine

C15H20N4O — CID 53192279

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)co1
InChIInChI=1S/C15H20N4O/c1-2-12(1)14-16-15(18-17-14)13-3-6-19(7-4-13)9-11-5-8-20-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,16,17,18)
InChIKeyPSGJTXWDWLXYQZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds4

About 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine (PubChem CID 53192279) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine
PubChem CID53192279
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine
SMILESc1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)co1
InChIInChI=1S/C15H20N4O/c1-2-12(1)14-16-15(18-17-14)13-3-6-19(7-4-13)9-11-5-8-20-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,16,17,18)
InChIKeyPSGJTXWDWLXYQZ-UHFFFAOYSA-N
XLogP2.65
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine (CID 53192279) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine is c1cc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)co1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine?
The InChIKey is PSGJTXWDWLXYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12(1)14-16-15(18-17-14)13-3-6-19(7-4-13)9-11-5-8-20-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,16,17,18).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine has a molecular weight of 272.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-(furan-3-ylmethyl)piperidine is sourced from PubChem (CID 53192279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).