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

C20H23NO4 — CID 110396820

IUPAC[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-23-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(22)15-4-3-5-19(14-15)24-2/h3-9,14,18H,10-13H2,1-2H3
InChIKeyHRQVVUREKFZDLH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds5

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

[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 110396820) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID110396820
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C20H23NO4/c1-23-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(22)15-4-3-5-19(14-15)24-2/h3-9,14,18H,10-13H2,1-2H3
InChIKeyHRQVVUREKFZDLH-UHFFFAOYSA-N
XLogP3.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 110396820) is [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1ccc(OC2CCN(C(=O)c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is HRQVVUREKFZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-16-6-8-17(9-7-16)25-18-10-12-21(13-11-18)20(22)15-4-3-5-19(14-15)24-2/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 110396820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).