(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C15H22N2O3 — CID 60818753

IUPAC(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-16-12-6-8-17(9-7-12)15(18)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyNFVZBYRUNDFHQK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds4

About (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 60818753) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID60818753
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-16-12-6-8-17(9-7-12)15(18)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyNFVZBYRUNDFHQK-UHFFFAOYSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 60818753) is (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is NFVZBYRUNDFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-12-6-8-17(9-7-12)15(18)11-4-5-13(19-2)14(10-11)20-3/h4-5,10,12,16H,6-9H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60818753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).