2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid

C27H31N3O6 — CID 15285178

IUPAC2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
SMILESCC(=O)NC(CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1)C(=O)O
InChIInChI=1S/C27H31N3O6/c1-18(31)28-23(27(34)35)14-17-36-22-9-6-20(7-10-22)26(33)29-15-12-21(13-16-29)30-24-5-3-2-4-19(24)8-11-25(30)32/h2-7,9-10,21,23H,8,11-17H2,1H3,(H,28,31)(H,34,35)
InChIKeyRCGRPIIZMMJFKJ-UHFFFAOYSA-N
MW493.56 g/mol
LogP2.63
Rot. Bonds8

About 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid

2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid (PubChem CID 15285178) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
PubChem CID15285178
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
SMILESCC(=O)NC(CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1)C(=O)O
InChIInChI=1S/C27H31N3O6/c1-18(31)28-23(27(34)35)14-17-36-22-9-6-20(7-10-22)26(33)29-15-12-21(13-16-29)30-24-5-3-2-4-19(24)8-11-25(30)32/h2-7,9-10,21,23H,8,11-17H2,1H3,(H,28,31)(H,34,35)
InChIKeyRCGRPIIZMMJFKJ-UHFFFAOYSA-N
XLogP2.63
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid with MolForge

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Related Compounds

2-acetamido-N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]pentanamide
CID 19031213
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
benzyl N-[(2S)-1-oxo-1-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylamino]-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 18652637
1-[1-[4-[8-(diethylamino)-7-hydroxyoctoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031021
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]hexanamide
CID 70046843
1-[1-[4-[5-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]hexoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031205
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
benzyl (2R)-2-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylcarbamoyl]pyrrolidine-1-carboxylate
CID 70105782
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
3-[methyl-[1-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentyl]amino]propanenitrile
CID 70048372

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid?
The IUPAC name of 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid (CID 15285178) is 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid.
What is the SMILES notation for 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid?
The canonical SMILES for 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid is CC(=O)NC(CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1)C(=O)O.
What is the InChIKey of 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid?
The InChIKey is RCGRPIIZMMJFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-18(31)28-23(27(34)35)14-17-36-22-9-6-20(7-10-22)26(33)29-15-12-21(13-16-29)30-24-5-3-2-4-19(24)8-11-25(30)32/h2-7,9-10,21,23H,8,11-17H2,1H3,(H,28,31)(H,34,35).
What are the key properties of 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid?
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid has a molecular weight of 493.56 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid is sourced from PubChem (CID 15285178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).