methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate

C14H23N3O2 — CID 71781228

IUPACmethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-8-12(2)17(15-11)9-13-4-6-16(7-5-13)10-14(18)19-3/h8,13H,4-7,9-10H2,1-3H3
InChIKeyMYDWDRRGBCQLBW-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate

methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate (PubChem CID 71781228) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate
PubChem CID71781228
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-8-12(2)17(15-11)9-13-4-6-16(7-5-13)10-14(18)19-3/h8,13H,4-7,9-10H2,1-3H3
InChIKeyMYDWDRRGBCQLBW-UHFFFAOYSA-N
XLogP1.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate (CID 71781228) is methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate is COC(=O)CN1CCC(Cn2nc(C)cc2C)CC1.
What is the InChIKey of methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate?
The InChIKey is MYDWDRRGBCQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-12(2)17(15-11)9-13-4-6-16(7-5-13)10-14(18)19-3/h8,13H,4-7,9-10H2,1-3H3.
What are the key properties of methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate?
methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate has a molecular weight of 265.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 71781228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).