1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C18H24N2O6 — CID 119236084

IUPAC1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O6/c1-19(11-16(21)20-6-4-12(5-7-20)18(23)24)17(22)13-8-14(25-2)10-15(9-13)26-3/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)
InChIKeyILKLDMSXUCHLRP-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236084) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236084
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O6/c1-19(11-16(21)20-6-4-12(5-7-20)18(23)24)17(22)13-8-14(25-2)10-15(9-13)26-3/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)
InChIKeyILKLDMSXUCHLRP-UHFFFAOYSA-N
XLogP1.10
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[methyl-[4-(trifluoromethoxy)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236319
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525452
1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235812
1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235772
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498
1-[2-[methyl-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120525541
1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236211
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119236084) is 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid is COc1cc(OC)cc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ILKLDMSXUCHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-19(11-16(21)20-6-4-12(5-7-20)18(23)24)17(22)13-8-14(25-2)10-15(9-13)26-3/h8-10,12H,4-7,11H2,1-3H3,(H,23,24).
What are the key properties of 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).