3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one

C19H29NO2 — CID 82050418

IUPAC3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
SMILESCC(C)COc1ccc(C(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)14-22-18-8-6-17(7-9-18)19(21)10-12-20-11-4-5-16(3)13-20/h6-9,15-16H,4-5,10-14H2,1-3H3
InChIKeySPUUUDCQBWZNBQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.03
Rot. Bonds7

About 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one

3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one (PubChem CID 82050418) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
PubChem CID82050418
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
SMILESCC(C)COc1ccc(C(=O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)14-22-18-8-6-17(7-9-18)19(21)10-12-20-11-4-5-16(3)13-20/h6-9,15-16H,4-5,10-14H2,1-3H3
InChIKeySPUUUDCQBWZNBQ-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]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

Related Compounds

1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
CID 644984
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816
2-(2,6-dimethylmorpholin-4-yl)-1-[4-(2-methylpropoxy)phenyl]ethanone
CID 82050428
2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one (CID 82050418) is 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one is CC(C)COc1ccc(C(=O)CCN2CCCC(C)C2)cc1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The InChIKey is SPUUUDCQBWZNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)14-22-18-8-6-17(7-9-18)19(21)10-12-20-11-4-5-16(3)13-20/h6-9,15-16H,4-5,10-14H2,1-3H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 82050418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).