1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H24N4O — CID 53192563

IUPAC1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(CN2CCC(c3nncn3C(C)C)CC2)o1
InChIInChI=1S/C16H24N4O/c1-12(2)20-11-17-18-16(20)14-6-8-19(9-7-14)10-15-5-4-13(3)21-15/h4-5,11-12,14H,6-10H2,1-3H3
InChIKeyBLEXRLLXRGRBAW-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.14
Rot. Bonds4

About 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192563) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192563
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(CN2CCC(c3nncn3C(C)C)CC2)o1
InChIInChI=1S/C16H24N4O/c1-12(2)20-11-17-18-16(20)14-6-8-19(9-7-14)10-15-5-4-13(3)21-15/h4-5,11-12,14H,6-10H2,1-3H3
InChIKeyBLEXRLLXRGRBAW-UHFFFAOYSA-N
XLogP3.14
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192563) is 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is Cc1ccc(CN2CCC(c3nncn3C(C)C)CC2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is BLEXRLLXRGRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)20-11-17-18-16(20)14-6-8-19(9-7-14)10-15-5-4-13(3)21-15/h4-5,11-12,14H,6-10H2,1-3H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 288.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).