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

C18H27N5O2 — CID 71896158

IUPAC[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCCC(c3nncn3C)C2)o1
InChIInChI=1S/C18H27N5O2/c1-4-22(5-2)12-15-8-9-16(25-15)18(24)23-10-6-7-14(11-23)17-20-19-13-21(17)3/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyBJKPVXSPYJSTHD-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.27
Rot. Bonds6

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

[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71896158) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID71896158
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCCC(c3nncn3C)C2)o1
InChIInChI=1S/C18H27N5O2/c1-4-22(5-2)12-15-8-9-16(25-15)18(24)23-10-6-7-14(11-23)17-20-19-13-21(17)3/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyBJKPVXSPYJSTHD-UHFFFAOYSA-N
XLogP2.27
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(diethylaminomethyl)furan-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680421
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
[5-(diethylaminomethyl)furan-2-yl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 139006638
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
[5-[(dimethylamino)methyl]furan-2-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131932023
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 94178064
2-(4-ethoxyphenyl)-1-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 94021780
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456

Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 71896158) is [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCCC(c3nncn3C)C2)o1.
What is the InChIKey of [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BJKPVXSPYJSTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-22(5-2)12-15-8-9-16(25-15)18(24)23-10-6-7-14(11-23)17-20-19-13-21(17)3/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)furan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71896158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).