3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid

C24H30N2O3 — CID 70611057

IUPAC3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1C
InChIInChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29)15-17-25(18-19(24)2)16-14-20-10-6-4-7-11-20/h4-13,19H,3,14-18H2,1-2H3,(H,28,29)
InChIKeyFTVRGONWEXYASJ-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.84
Rot. Bonds7

About 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid

3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid (PubChem CID 70611057) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
PubChem CID70611057
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1C
InChIInChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29)15-17-25(18-19(24)2)16-14-20-10-6-4-7-11-20/h4-13,19H,3,14-18H2,1-2H3,(H,28,29)
InChIKeyFTVRGONWEXYASJ-UHFFFAOYSA-N
XLogP3.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
CID 153116157
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
(E)-but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 6445104
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid (CID 70611057) is 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid is CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1C.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid?
The InChIKey is FTVRGONWEXYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29)15-17-25(18-19(24)2)16-14-20-10-6-4-7-11-20/h4-13,19H,3,14-18H2,1-2H3,(H,28,29).
What are the key properties of 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid?
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid has a molecular weight of 394.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid is sourced from PubChem (CID 70611057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).