2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid

C18H26N2O4 — CID 138001992

IUPAC2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
SMILESCOc1c(C)cc(C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1C
InChIInChI=1S/C18H26N2O4/c1-12-9-14(10-13(2)17(12)24-4)18(23)20-7-5-15(6-8-20)19(3)11-16(21)22/h9-10,15H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyWPMKECFNGCLQCZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.93
Rot. Bonds5

About 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid

2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid (PubChem CID 138001992) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
PubChem CID138001992
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
SMILESCOc1c(C)cc(C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1C
InChIInChI=1S/C18H26N2O4/c1-12-9-14(10-13(2)17(12)24-4)18(23)20-7-5-15(6-8-20)19(3)11-16(21)22/h9-10,15H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyWPMKECFNGCLQCZ-UHFFFAOYSA-N
XLogP1.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
2-[[1-(4-methoxy-3,5-dimethylphenyl)sulfonylazepan-4-yl]-methylamino]acetic acid
CID 122070329
2-[[(4R)-1-(3-bromo-5-fluorobenzoyl)azepan-4-yl]-methylamino]acetic acid
CID 129399231
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone
CID 154787388
(2S,3S)-1-(4-methoxy-3,5-dimethylbenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116519
2-[[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042958
[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 102052463
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301
2-[methyl-[1-(4-phenoxypyridine-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 129008299
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid (CID 138001992) is 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid is COc1c(C)cc(C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1C.
What is the InChIKey of 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is WPMKECFNGCLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-9-14(10-13(2)17(12)24-4)18(23)20-7-5-15(6-8-20)19(3)11-16(21)22/h9-10,15H,5-8,11H2,1-4H3,(H,21,22).
What are the key properties of 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid?
2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 138001992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).