[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone

C15H18N4O2 — CID 53192404

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H18N4O2/c20-15(12-5-8-21-9-12)19-6-3-11(4-7-19)14-16-13(17-18-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H,16,17,18)
InChIKeyRRHKBRDIHNSDFS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds3

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

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 53192404) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID53192404
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H18N4O2/c20-15(12-5-8-21-9-12)19-6-3-11(4-7-19)14-16-13(17-18-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H,16,17,18)
InChIKeyRRHKBRDIHNSDFS-UHFFFAOYSA-N
XLogP2.29
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
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)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 53192404) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is RRHKBRDIHNSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(12-5-8-21-9-12)19-6-3-11(4-7-19)14-16-13(17-18-14)10-1-2-10/h5,8-11H,1-4,6-7H2,(H,16,17,18).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.29, 3 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)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53192404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).