4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid

C22H24Cl2N2O5 — CID 22052375

IUPAC4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)O)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O5/c1-30-19-5-3-15(21(27)25-17-6-9-26(10-7-17)22(28)29)12-20(19)31-11-8-14-2-4-16(23)13-18(14)24/h2-5,12-13,17H,6-11H2,1H3,(H,25,27)(H,28,29)
InChIKeyYHLOPGXWWAUUIG-UHFFFAOYSA-N
MW467.35 g/mol
LogP4.50
Rot. Bonds7

About 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid

4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid (PubChem CID 22052375) has the molecular formula C22H24Cl2N2O5 and a molecular weight of 467.35 g/mol. Its IUPAC name is 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid
PubChem CID22052375
Molecular FormulaC22H24Cl2N2O5
Molecular Weight467.35 g/mol
Exact Mass466.11
IUPAC Name4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCN(C(=O)O)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O5/c1-30-19-5-3-15(21(27)25-17-6-9-26(10-7-17)22(28)29)12-20(19)31-11-8-14-2-4-16(23)13-18(14)24/h2-5,12-13,17H,6-11H2,1H3,(H,25,27)(H,28,29)
InChIKeyYHLOPGXWWAUUIG-UHFFFAOYSA-N
XLogP4.50
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

N-[1-[2-[2-(diaminomethylidene)hydrazinyl]-2-oxoethyl]piperidin-4-yl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 23396244
[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 23396229
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-piperidin-1-ylpropyl)benzamide
CID 11213445
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-(3-oxo-1-piperidin-4-yl-3-pyrrolidin-1-ylpropyl)benzamide
CID 22052444
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
3-[2-(2,4-dichlorophenyl)ethoxy]-4-ethoxybenzoic acid
CID 22052399
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502037
N-[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935740

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid (CID 22052375) is 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid is COc1ccc(C(=O)NC2CCN(C(=O)O)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid?
The InChIKey is YHLOPGXWWAUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O5/c1-30-19-5-3-15(21(27)25-17-6-9-26(10-7-17)22(28)29)12-20(19)31-11-8-14-2-4-16(23)13-18(14)24/h2-5,12-13,17H,6-11H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid?
4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid has a molecular weight of 467.35 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 22052375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).