1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C17H29N3O2 — CID 53150916

IUPAC1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOCCC1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)19(3)18-13)5-6-17(21)20-10-7-15(8-11-20)9-12-22-4/h15H,5-12H2,1-4H3
InChIKeyBLOLNROXHYSRNQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.24
Rot. Bonds6

About 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 53150916) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID53150916
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOCCC1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)19(3)18-13)5-6-17(21)20-10-7-15(8-11-20)9-12-22-4/h15H,5-12H2,1-4H3
InChIKeyBLOLNROXHYSRNQ-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 53150916) is 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is COCCC1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is BLOLNROXHYSRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13-16(14(2)19(3)18-13)5-6-17(21)20-10-7-15(8-11-20)9-12-22-4/h15H,5-12H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 307.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 53150916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).