[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone

C20H22ClNO3 — CID 46028783

IUPAC[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(OCc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H22ClNO3/c1-24-18-9-7-16(8-10-18)20(23)22-11-3-6-19(13-22)25-14-15-4-2-5-17(21)12-15/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3
InChIKeyXDLXZKOXYRQOSA-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.17
Rot. Bonds5

About [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone

[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 46028783) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID46028783
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(OCc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H22ClNO3/c1-24-18-9-7-16(8-10-18)20(23)22-11-3-6-19(13-22)25-14-15-4-2-5-17(21)12-15/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3
InChIKeyXDLXZKOXYRQOSA-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223787
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 46028783) is [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(OCc3cccc(Cl)c3)C2)cc1.
What is the InChIKey of [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XDLXZKOXYRQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-24-18-9-7-16(8-10-18)20(23)22-11-3-6-19(13-22)25-14-15-4-2-5-17(21)12-15/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3.
What are the key properties of [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 359.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 46028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).