1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

C21H30N2O3 — CID 122121628

IUPAC1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)N(c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C21H30N2O3/c1-16-12-17(21(25)26)14-22(13-16)15-20(24)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19H,3,6-7,10-15H2,1H3,(H,25,26)
InChIKeyRVIIUBWBJJXZPK-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.39
Rot. Bonds5

About 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121628) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121628
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)N(c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C21H30N2O3/c1-16-12-17(21(25)26)14-22(13-16)15-20(24)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19H,3,6-7,10-15H2,1H3,(H,25,26)
InChIKeyRVIIUBWBJJXZPK-UHFFFAOYSA-N
XLogP3.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121388
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
5-methyl-1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121400
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
CID 98363739
N-acetyl-2-(3,5-dimethylpiperidin-1-yl)-N-phenylacetamide
CID 150565764
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121783
(3R,4S)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 133131957
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (CID 122121628) is 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(CC(=O)N(c2ccccc2)C2CCCCC2)C1.
What is the InChIKey of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RVIIUBWBJJXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-12-17(21(25)26)14-22(13-16)15-20(24)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19H,3,6-7,10-15H2,1H3,(H,25,26).
What are the key properties of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).