(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone

C15H21NO4 — CID 110725273

IUPAC(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OC)CC2)cc1OC
InChIInChI=1S/C15H21NO4/c1-18-12-6-8-16(9-7-12)15(17)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyFZIFMWWEUIGHSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone

(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 110725273) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID110725273
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OC)CC2)cc1OC
InChIInChI=1S/C15H21NO4/c1-18-12-6-8-16(9-7-12)15(17)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyFZIFMWWEUIGHSC-UHFFFAOYSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 110725273) is (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(OC)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is FZIFMWWEUIGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-6-8-16(9-7-12)15(17)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 110725273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).