2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid

C18H24N2O4 — CID 119347235

IUPAC2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CCc2ccccc2)CC(=O)O)CC1
InChIInChI=1S/C18H24N2O4/c1-14(21)19-11-8-16(9-12-19)18(24)20(13-17(22)23)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,22,23)
InChIKeyAZQQZMBCIWTWPP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.40
Rot. Bonds6

About 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid

2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid (PubChem CID 119347235) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
PubChem CID119347235
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CCc2ccccc2)CC(=O)O)CC1
InChIInChI=1S/C18H24N2O4/c1-14(21)19-11-8-16(9-12-19)18(24)20(13-17(22)23)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,22,23)
InChIKeyAZQQZMBCIWTWPP-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265267
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid (CID 119347235) is 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid is CC(=O)N1CCC(C(=O)N(CCc2ccccc2)CC(=O)O)CC1.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid?
The InChIKey is AZQQZMBCIWTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-14(21)19-11-8-16(9-12-19)18(24)20(13-17(22)23)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,22,23).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid?
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).