3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one

C15H23N3O2 — CID 71931430

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one
SMILESC=CCOC1CCN(C(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-10-20-14-6-8-18(9-7-14)15(19)5-4-13-11-16-17(2)12-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyVTZRASRQLCHXSI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one

3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one (PubChem CID 71931430) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one
PubChem CID71931430
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one
SMILESC=CCOC1CCN(C(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-10-20-14-6-8-18(9-7-14)15(19)5-4-13-11-16-17(2)12-13/h3,11-12,14H,1,4-10H2,2H3
InChIKeyVTZRASRQLCHXSI-UHFFFAOYSA-N
XLogP1.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one (CID 71931430) is 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one is C=CCOC1CCN(C(=O)CCc2cnn(C)c2)CC1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one?
The InChIKey is VTZRASRQLCHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-10-20-14-6-8-18(9-7-14)15(19)5-4-13-11-16-17(2)12-13/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one?
3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-prop-2-enoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).