[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C15H20N4O3 — CID 129492216

IUPAC[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOCc1nc([C@@H]2CCCCN2C(=O)c2ccoc2C)n[nH]1
InChIInChI=1S/C15H20N4O3/c1-10-11(6-8-22-10)15(20)19-7-4-3-5-12(19)14-16-13(9-21-2)17-18-14/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyHNTWANAAMDVXHS-LBPRGKRZSA-N
MW304.35 g/mol
LogP2.22
Rot. Bonds4

About [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 129492216) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID129492216
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOCc1nc([C@@H]2CCCCN2C(=O)c2ccoc2C)n[nH]1
InChIInChI=1S/C15H20N4O3/c1-10-11(6-8-22-10)15(20)19-7-4-3-5-12(19)14-16-13(9-21-2)17-18-14/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyHNTWANAAMDVXHS-LBPRGKRZSA-N
XLogP2.22
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorofuran-3-yl)-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 129487453
2-(2-fluorophenyl)-1-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 128994930
cis-(1S,3R)-3-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066980
2-(1-hydroxycyclohexyl)-1-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 129492315
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 167760849
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
2-[2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-4-methylpyrimidine
CID 154778622
(2-methylfuran-3-yl)-[(2R)-2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]methanone
CID 97346030
[2-(chloromethyl)azepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 116639120
4-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 129487434
5-bromo-2-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 129487383
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
CID 129492185

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 129492216) is [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is COCc1nc([C@@H]2CCCCN2C(=O)c2ccoc2C)n[nH]1.
What is the InChIKey of [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is HNTWANAAMDVXHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-11(6-8-22-10)15(20)19-7-4-3-5-12(19)14-16-13(9-21-2)17-18-14/h6,8,12H,3-5,7,9H2,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 129492216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).