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

C17H24N4O2 — CID 31105407

IUPAC[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCCCc1cn(C2CCN(C(=O)c3ccoc3C)CC2)nn1
InChIInChI=1S/C17H24N4O2/c1-3-4-5-14-12-21(19-18-14)15-6-9-20(10-7-15)17(22)16-8-11-23-13(16)2/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyYXPAOQAMLJEXAD-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.00
Rot. Bonds5

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

[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 31105407) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID31105407
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCCCc1cn(C2CCN(C(=O)c3ccoc3C)CC2)nn1
InChIInChI=1S/C17H24N4O2/c1-3-4-5-14-12-21(19-18-14)15-6-9-20(10-7-15)17(22)16-8-11-23-13(16)2/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyYXPAOQAMLJEXAD-UHFFFAOYSA-N
XLogP3.00
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-butyltriazol-1-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 46994542
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 46996489
(2S,4S)-4-(4-butyltriazol-1-yl)pyrrolidine-2-carboxylic acid
CID 56720914
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
N-[1-[1-(2-methylfuran-3-carbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004090
(2,5-dimethylphenyl)-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891905
[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 31017774
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330

Frequently Asked Questions

What is the IUPAC name of [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 31105407) is [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is CCCCc1cn(C2CCN(C(=O)c3ccoc3C)CC2)nn1.
What is the InChIKey of [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is YXPAOQAMLJEXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-4-5-14-12-21(19-18-14)15-6-9-20(10-7-15)17(22)16-8-11-23-13(16)2/h8,11-12,15H,3-7,9-10H2,1-2H3.
What are the key properties of [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 316.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 31105407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).