2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone

C21H24ClNO4 — CID 93223599

IUPAC2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
SMILESCOc1cccc(CO[C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO4/c1-25-19-5-2-4-16(12-19)14-26-20-6-3-11-23(13-20)21(24)15-27-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m0/s1
InChIKeyCLPIEXONKKCOBI-FQEVSTJZSA-N
MW389.88 g/mol
LogP3.94
Rot. Bonds7

About 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone (PubChem CID 93223599) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
PubChem CID93223599
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
SMILESCOc1cccc(CO[C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO4/c1-25-19-5-2-4-16(12-19)14-26-20-6-3-11-23(13-20)21(24)15-27-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m0/s1
InChIKeyCLPIEXONKKCOBI-FQEVSTJZSA-N
XLogP3.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918
2-(4-chlorophenoxy)-1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223135
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223601
2-(4-chlorophenoxy)-1-[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 93223519
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone (CID 93223599) is 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone is COc1cccc(CO[C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is CLPIEXONKKCOBI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-25-19-5-2-4-16(12-19)14-26-20-6-3-11-23(13-20)21(24)15-27-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 389.88 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 93223599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).