1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one

C22H27NO3 — CID 43905657

IUPAC1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
SMILESCOc1cccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H27NO3/c1-17(26-21-10-6-9-20(16-21)25-2)22(24)23-13-11-19(12-14-23)15-18-7-4-3-5-8-18/h3-10,16-17,19H,11-15H2,1-2H3
InChIKeyCSMZCGOQYJSUGJ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one (PubChem CID 43905657) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
PubChem CID43905657
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
SMILESCOc1cccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H27NO3/c1-17(26-21-10-6-9-20(16-21)25-2)22(24)23-13-11-19(12-14-23)15-18-7-4-3-5-8-18/h3-10,16-17,19H,11-15H2,1-2H3
InChIKeyCSMZCGOQYJSUGJ-UHFFFAOYSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)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

methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
CID 18096879
(2S)-1-(4-benzylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 100522778
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 55425172
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 41176180
1-(4-benzylpiperidin-1-yl)-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 4143277
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
1-(4-benzylpiperidin-1-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110416061
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one (CID 43905657) is 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one is COc1cccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one?
The InChIKey is CSMZCGOQYJSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(26-21-10-6-9-20(16-21)25-2)22(24)23-13-11-19(12-14-23)15-18-7-4-3-5-8-18/h3-10,16-17,19H,11-15H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one?
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one has a molecular weight of 353.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 43905657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).