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

C18H26N2O3 — CID 74419182

IUPAC2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)C(CCN(C)c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(21)20-11-9-15(12-18(22)23)16(13-20)8-10-19(2)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,23)
InChIKeyHCMDUEXIQXNBLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.47
Rot. Bonds6

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

2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid (PubChem CID 74419182) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
PubChem CID74419182
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCC(CC(=O)O)C(CCN(C)c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(21)20-11-9-15(12-18(22)23)16(13-20)8-10-19(2)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,23)
InChIKeyHCMDUEXIQXNBLO-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]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-[(3S,4S)-1-(cyclobutanecarbonyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 163136790
2-[1-(3,3-dimethylbutanoyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 74577053
2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 28960117
2-[3-[2-(N-methylanilino)ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
CID 74577054
2-[(3S,4S)-1-[2-(4-methoxyphenyl)acetyl]-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 163021146
2-[1-benzoyl-3-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]piperidin-4-yl]acetic acid
CID 74576720
2-[(3R,4S)-3-[2-(diethylamino)ethyl]-1-(phenylcarbamoyl)piperidin-4-yl]acetic acid
CID 28959550
2-[1-acetyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
CID 74576998
2-[(3S,4S)-1-(morpholine-4-carbonyl)-3-[2-[N-(2-morpholin-4-ylethyl)anilino]ethyl]piperidin-4-yl]acetic acid
CID 163163254
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-acetyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
CID 25313352

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid (CID 74419182) is 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid is CC(=O)N1CCC(CC(=O)O)C(CCN(C)c2ccccc2)C1.
What is the InChIKey of 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is HCMDUEXIQXNBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(21)20-11-9-15(12-18(22)23)16(13-20)8-10-19(2)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid?
2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-3-[2-(N-methylanilino)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 74419182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).