[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone

C14H18N4O3 — CID 31053543

IUPAC[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC(n2cc(CO)nn2)CC1
InChIInChI=1S/C14H18N4O3/c1-10-4-7-21-13(10)14(20)17-5-2-12(3-6-17)18-8-11(9-19)15-16-18/h4,7-8,12,19H,2-3,5-6,9H2,1H3
InChIKeyANSYCBGIZJAUFS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.15
Rot. Bonds3

About [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone

[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 31053543) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID31053543
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC(n2cc(CO)nn2)CC1
InChIInChI=1S/C14H18N4O3/c1-10-4-7-21-13(10)14(20)17-5-2-12(3-6-17)18-8-11(9-19)15-16-18/h4,7-8,12,19H,2-3,5-6,9H2,1H3
InChIKeyANSYCBGIZJAUFS-UHFFFAOYSA-N
XLogP1.15
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 31053543) is [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCC(n2cc(CO)nn2)CC1.
What is the InChIKey of [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is ANSYCBGIZJAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-4-7-21-13(10)14(20)17-5-2-12(3-6-17)18-8-11(9-19)15-16-18/h4,7-8,12,19H,2-3,5-6,9H2,1H3.
What are the key properties of [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 31053543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).