3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

C21H31NO2 — CID 110416521

IUPAC3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCCOCC1CCCN(C(=O)CC(c2ccc(C)cc2)C2CC2)C1
InChIInChI=1S/C21H31NO2/c1-3-24-15-17-5-4-12-22(14-17)21(23)13-20(19-10-11-19)18-8-6-16(2)7-9-18/h6-9,17,19-20H,3-5,10-15H2,1-2H3
InChIKeyUWYAJFMYDFNBQF-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.15
Rot. Bonds7

About 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (PubChem CID 110416521) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
PubChem CID110416521
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
SMILESCCOCC1CCCN(C(=O)CC(c2ccc(C)cc2)C2CC2)C1
InChIInChI=1S/C21H31NO2/c1-3-24-15-17-5-4-12-22(14-17)21(23)13-20(19-10-11-19)18-8-6-16(2)7-9-18/h6-9,17,19-20H,3-5,10-15H2,1-2H3
InChIKeyUWYAJFMYDFNBQF-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenyl)-4-methylpentan-1-one
CID 110418641
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617224
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
1-(3-aminopiperidin-1-yl)-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119377565
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
2-(3,4-dimethylphenoxy)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617181
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110610297
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110416540

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one (CID 110416521) is 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is CCOCC1CCCN(C(=O)CC(c2ccc(C)cc2)C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
The InChIKey is UWYAJFMYDFNBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-24-15-17-5-4-12-22(14-17)21(23)13-20(19-10-11-19)18-8-6-16(2)7-9-18/h6-9,17,19-20H,3-5,10-15H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one?
3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one has a molecular weight of 329.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 110416521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).