2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid

C24H30N2O4 — CID 74577054

IUPAC2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
SMILESCN(CCC1CN(C(=O)COc2ccccc2)CCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-25(21-8-4-2-5-9-21)14-12-20-17-26(15-13-19(20)16-24(28)29)23(27)18-30-22-10-6-3-7-11-22/h2-11,19-20H,12-18H2,1H3,(H,28,29)
InChIKeyPCSVOSMLIPYKMB-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.53
Rot. Bonds9

About 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid

2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid (PubChem CID 74577054) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
PubChem CID74577054
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
SMILESCN(CCC1CN(C(=O)COc2ccccc2)CCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-25(21-8-4-2-5-9-21)14-12-20-17-26(15-13-19(20)16-24(28)29)23(27)18-30-22-10-6-3-7-11-22/h2-11,19-20H,12-18H2,1H3,(H,28,29)
InChIKeyPCSVOSMLIPYKMB-UHFFFAOYSA-N
XLogP3.53
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 74419182
2-[(3S,4S)-1-[2-(4-methoxyphenyl)acetyl]-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 163021146
2-[(3S,4S)-1-(cyclobutanecarbonyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 163136790
2-[3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 74576902
2-[(3R,4S)-3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 28959865
2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 28960117
2-[(3R,4S)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 28959913
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-[1-[2-(4-methoxyphenyl)acetyl]-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]piperidin-4-yl]acetic acid
CID 74418925
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid (CID 74577054) is 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid is CN(CCC1CN(C(=O)COc2ccccc2)CCC1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid?
The InChIKey is PCSVOSMLIPYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-25(21-8-4-2-5-9-21)14-12-20-17-26(15-13-19(20)16-24(28)29)23(27)18-30-22-10-6-3-7-11-22/h2-11,19-20H,12-18H2,1H3,(H,28,29).
What are the key properties of 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid?
2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid has a molecular weight of 410.51 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 74577054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).