4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid

C16H22N2O4 — CID 126511695

IUPAC4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-2-22-15(19)12-18(13-6-4-3-5-7-13)14-8-10-17(11-9-14)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21)
InChIKeyQOIWMXWSICOJLY-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.20
Rot. Bonds5

About 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid

4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid (PubChem CID 126511695) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
PubChem CID126511695
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-2-22-15(19)12-18(13-6-4-3-5-7-13)14-8-10-17(11-9-14)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21)
InChIKeyQOIWMXWSICOJLY-UHFFFAOYSA-N
XLogP2.20
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
4-[1-(N-(2-ethoxy-2-oxoethyl)anilino)-2-methylpropan-2-yl]piperidine-1-carboxylic acid
CID 175199226
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
CID 62006681
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 67082647
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
4-[3-[cyano-(3-ethoxy-3-oxopropyl)amino]phenyl]piperidine-1-carboxylic acid
CID 154941996
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631

Frequently Asked Questions

What is the IUPAC name of 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid (CID 126511695) is 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid is CCOC(=O)CN(c1ccccc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid?
The InChIKey is QOIWMXWSICOJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-22-15(19)12-18(13-6-4-3-5-7-13)14-8-10-17(11-9-14)16(20)21/h3-7,14H,2,8-12H2,1H3,(H,20,21).
What are the key properties of 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid?
4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 126511695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).