(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone

C22H28N2O3 — CID 3373464

IUPAC(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cc(C)ccc3C)CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15-5-6-16(2)19(13-15)23-18-9-11-24(12-10-18)22(25)17-7-8-20(26-3)21(14-17)27-4/h5-8,13-14,18,23H,9-12H2,1-4H3
InChIKeyALTGGZDLXDQHLO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.04
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone (PubChem CID 3373464) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
PubChem CID3373464
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Nc3cc(C)ccc3C)CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15-5-6-16(2)19(13-15)23-18-9-11-24(12-10-18)22(25)17-7-8-20(26-3)21(14-17)27-4/h5-8,13-14,18,23H,9-12H2,1-4H3
InChIKeyALTGGZDLXDQHLO-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-[4-(3-fluoro-2-nitroanilino)piperidin-1-yl]methanone
CID 133307998
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone (CID 3373464) is (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(Nc3cc(C)ccc3C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone?
The InChIKey is ALTGGZDLXDQHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-5-6-16(2)19(13-15)23-18-9-11-24(12-10-18)22(25)17-7-8-20(26-3)21(14-17)27-4/h5-8,13-14,18,23H,9-12H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 3373464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).