1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

C22H27NO4 — CID 110396864

IUPAC1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-25-18-7-9-19(10-8-18)27-20-12-14-23(15-13-20)22(24)11-6-17-4-3-5-21(16-17)26-2/h3-5,7-10,16,20H,6,11-15H2,1-2H3
InChIKeyARTYUMMDORYMGF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.71
Rot. Bonds7

About 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 110396864) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID110396864
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-25-18-7-9-19(10-8-18)27-20-12-14-23(15-13-20)22(24)11-6-17-4-3-5-21(16-17)26-2/h3-5,7-10,16,20H,6,11-15H2,1-2H3
InChIKeyARTYUMMDORYMGF-UHFFFAOYSA-N
XLogP3.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)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

3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 110396864) is 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1ccc(OC2CCN(C(=O)CCc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is ARTYUMMDORYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-25-18-7-9-19(10-8-18)27-20-12-14-23(15-13-20)22(24)11-6-17-4-3-5-21(16-17)26-2/h3-5,7-10,16,20H,6,11-15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 369.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).