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

C22H28N2O3 — CID 42509571

IUPAC(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15-7-9-18(12-16(15)2)23-19-6-5-11-24(14-19)22(25)17-8-10-20(26-3)21(13-17)27-4/h7-10,12-13,19,23H,5-6,11,14H2,1-4H3/t19-/m1/s1
InChIKeyDWPAGLGELBBYKV-LJQANCHMSA-N
MW368.48 g/mol
LogP4.04
Rot. Bonds5

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

(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone (PubChem CID 42509571) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
PubChem CID42509571
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-15-7-9-18(12-16(15)2)23-19-6-5-11-24(14-19)22(25)17-8-10-20(26-3)21(13-17)27-4/h7-10,12-13,19,23H,5-6,11,14H2,1-4H3/t19-/m1/s1
InChIKeyDWPAGLGELBBYKV-LJQANCHMSA-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

[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
[(3R)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 30852240
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
1-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]pent-4-en-1-one
CID 42292796
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone (CID 42509571) is (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The InChIKey is DWPAGLGELBBYKV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-7-9-18(12-16(15)2)23-19-6-5-11-24(14-19)22(25)17-8-10-20(26-3)21(13-17)27-4/h7-10,12-13,19,23H,5-6,11,14H2,1-4H3/t19-/m1/s1.
What are the key properties of (3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-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)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 42509571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).