4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid

C23H28N2O4 — CID 70610544

IUPAC4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCCOC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-2-29-22(28)25(20-11-7-4-8-12-20)23(21(26)27)14-17-24(18-15-23)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,26,27)
InChIKeyLRCZGIYBGBTFOA-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.81
Rot. Bonds7

About 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid

4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid (PubChem CID 70610544) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
PubChem CID70610544
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
SMILESCCOC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4/c1-2-29-22(28)25(20-11-7-4-8-12-20)23(21(26)27)14-17-24(18-15-23)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,26,27)
InChIKeyLRCZGIYBGBTFOA-UHFFFAOYSA-N
XLogP3.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
CID 153395447
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
(7-butoxy-4-oxoheptyl) 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163569430
2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
CID 153116157
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
CID 70611057
4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 56894887
methyl 1-(2-naphthalen-2-ylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 102014816
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid (CID 70610544) is 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid is CCOC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
The InChIKey is LRCZGIYBGBTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-29-22(28)25(20-11-7-4-8-12-20)23(21(26)27)14-17-24(18-15-23)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,26,27).
What are the key properties of 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid?
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid has a molecular weight of 396.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70610544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).