4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid

C26H36N4O5 — CID 68894262

IUPAC4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid
SMILESCOCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)ccc1OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C26H36N4O5/c1-28(2)13-14-29(3)25(31)23-7-5-21(16-27-23)20-6-8-24(22(15-20)18-34-4)35-17-19-9-11-30(12-10-19)26(32)33/h5-8,15-16,19H,9-14,17-18H2,1-4H3,(H,32,33)
InChIKeyGPHYPCYOGFMDGB-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.30
Rot. Bonds10

About 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid

4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 68894262) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid
PubChem CID68894262
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid
SMILESCOCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)ccc1OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C26H36N4O5/c1-28(2)13-14-29(3)25(31)23-7-5-21(16-27-23)20-6-8-24(22(15-20)18-34-4)35-17-19-9-11-30(12-10-19)26(32)33/h5-8,15-16,19H,9-14,17-18H2,1-4H3,(H,32,33)
InChIKeyGPHYPCYOGFMDGB-UHFFFAOYSA-N
XLogP3.30
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

4-[[2-(methoxymethyl)-4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]phenoxy]methyl]-2-propan-2-ylpiperidine-1-carboxylic acid
CID 69094232
4-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050918
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
2-[1-[2-chloro-5-[6-(diethylcarbamoyl)-3-pyridinyl]benzoyl]pyrrolidin-3-yl]benzoic acid
CID 143232482
4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69051251
N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 95829488
4-[1-[2-[4-[6-(diethylcarbamoyl)-3-pyridinyl]-2-fluorophenyl]-2-methylpropanoyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 143161471
sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
CID 173054386

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid (CID 68894262) is 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid is COCc1cc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)ccc1OCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is GPHYPCYOGFMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-28(2)13-14-29(3)25(31)23-7-5-21(16-27-23)20-6-8-24(22(15-20)18-34-4)35-17-19-9-11-30(12-10-19)26(32)33/h5-8,15-16,19H,9-14,17-18H2,1-4H3,(H,32,33).
What are the key properties of 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid?
4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 484.60 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-[2-(dimethylamino)ethyl-methylcarbamoyl]-3-pyridinyl]-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68894262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).