(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone

C21H23Cl2NO4 — CID 46029085

IUPAC(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cc(COC2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1
InChIInChI=1S/C21H23Cl2NO4/c1-26-17-8-14(9-18(11-17)27-2)13-28-16-4-3-7-24(12-16)21(25)15-5-6-19(22)20(23)10-15/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3
InChIKeyKJTVLDHLADMKBI-UHFFFAOYSA-N
MW424.32 g/mol
LogP4.83
Rot. Bonds6

About (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 46029085) has the molecular formula C21H23Cl2NO4 and a molecular weight of 424.32 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
PubChem CID46029085
Molecular FormulaC21H23Cl2NO4
Molecular Weight424.32 g/mol
Exact Mass423.10
IUPAC Name(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cc(COC2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1
InChIInChI=1S/C21H23Cl2NO4/c1-26-17-8-14(9-18(11-17)27-2)13-28-16-4-3-7-24(12-16)21(25)15-5-6-19(22)20(23)10-15/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3
InChIKeyKJTVLDHLADMKBI-UHFFFAOYSA-N
XLogP4.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223844
[(3R)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223845
[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone (CID 46029085) is (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone is COc1cc(COC2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is KJTVLDHLADMKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO4/c1-26-17-8-14(9-18(11-17)27-2)13-28-16-4-3-7-24(12-16)21(25)15-5-6-19(22)20(23)10-15/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 424.32 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46029085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).