1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

C17H23ClN2O4 — CID 122121791

IUPAC1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23ClN2O4/c1-10-4-12(17(22)23)8-20(7-10)9-16(21)19-14-5-11(2)13(18)6-15(14)24-3/h5-6,10,12H,4,7-9H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyYPZLZIKDBAISGD-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121791) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121791
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C17H23ClN2O4/c1-10-4-12(17(22)23)8-20(7-10)9-16(21)19-14-5-11(2)13(18)6-15(14)24-3/h5-6,10,12H,4,7-9H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyYPZLZIKDBAISGD-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2656218
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98404869
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121790
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
1-[(2-bromo-5-chloro-4-methylphenyl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125116
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (CID 122121791) is 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is COc1cc(Cl)c(C)cc1NC(=O)CN1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YPZLZIKDBAISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-10-4-12(17(22)23)8-20(7-10)9-16(21)19-14-5-11(2)13(18)6-15(14)24-3/h5-6,10,12H,4,7-9H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 354.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).