1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine

C16H27N3O3 — CID 86788978

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
SMILESCOc1c(CN2CCCC(C3(C)OCCO3)C2)c(C)nn1C
InChIInChI=1S/C16H27N3O3/c1-12-14(15(20-4)18(3)17-12)11-19-7-5-6-13(10-19)16(2)21-8-9-22-16/h13H,5-11H2,1-4H3
InChIKeyDSBMYIOINGWOGZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.71
Rot. Bonds4

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine (PubChem CID 86788978) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
PubChem CID86788978
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
SMILESCOc1c(CN2CCCC(C3(C)OCCO3)C2)c(C)nn1C
InChIInChI=1S/C16H27N3O3/c1-12-14(15(20-4)18(3)17-12)11-19-7-5-6-13(10-19)16(2)21-8-9-22-16/h13H,5-11H2,1-4H3
InChIKeyDSBMYIOINGWOGZ-UHFFFAOYSA-N
XLogP1.71
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine (CID 86788978) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine is COc1c(CN2CCCC(C3(C)OCCO3)C2)c(C)nn1C.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The InChIKey is DSBMYIOINGWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-14(15(20-4)18(3)17-12)11-19-7-5-6-13(10-19)16(2)21-8-9-22-16/h13H,5-11H2,1-4H3.
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine has a molecular weight of 309.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 86788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).