(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

C13H22N4O2 — CID 102963862

IUPAC(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCOC1CN(C(=O)c2n[nH]c(C(C)C)n2)CCC1C
InChIInChI=1S/C13H22N4O2/c1-8(2)11-14-12(16-15-11)13(18)17-6-5-9(3)10(7-17)19-4/h8-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZIGDUJDZKQWLDA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.43
Rot. Bonds3

About (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone

(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 102963862) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID102963862
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCOC1CN(C(=O)c2n[nH]c(C(C)C)n2)CCC1C
InChIInChI=1S/C13H22N4O2/c1-8(2)11-14-12(16-15-11)13(18)17-6-5-9(3)10(7-17)19-4/h8-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyZIGDUJDZKQWLDA-UHFFFAOYSA-N
XLogP1.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone with MolForge

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Related Compounds

[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 82691290
[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 115315127
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102679903
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(5-tert-butyl-1H-1,2,4-triazol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963839
2-bromo-1-(3-methoxy-4-methylpiperidin-1-yl)butan-1-one
CID 102956862
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 102885632
methyl 1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 114009914

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (CID 102963862) is (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is COC1CN(C(=O)c2n[nH]c(C(C)C)n2)CCC1C.
What is the InChIKey of (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is ZIGDUJDZKQWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)11-14-12(16-15-11)13(18)17-6-5-9(3)10(7-17)19-4/h8-10H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
(3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylpiperidin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 102963862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).