3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid

C20H28N2O5 — CID 119362860

IUPAC3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)cc(C)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-14-11-16(20(26)21(3)10-7-18(24)25)12-15(2)19(14)27-13-17(23)22-8-5-4-6-9-22/h11-12H,4-10,13H2,1-3H3,(H,24,25)
InChIKeyYUNLCNOLANZFFZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.24
Rot. Bonds7

About 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid

3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid (PubChem CID 119362860) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
PubChem CID119362860
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
SMILESCc1cc(C(=O)N(C)CCC(=O)O)cc(C)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-14-11-16(20(26)21(3)10-7-18(24)25)12-15(2)19(14)27-13-17(23)22-8-5-4-6-9-22/h11-12H,4-10,13H2,1-3H3,(H,24,25)
InChIKeyYUNLCNOLANZFFZ-UHFFFAOYSA-N
XLogP2.24
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid with MolForge

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Related Compounds

2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-propan-2-ylamino]acetic acid
CID 120580828
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119401933
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119490646
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
N-(5-amino-2-methylphenyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120569046

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid (CID 119362860) is 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid is Cc1cc(C(=O)N(C)CCC(=O)O)cc(C)c1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid?
The InChIKey is YUNLCNOLANZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14-11-16(20(26)21(3)10-7-18(24)25)12-15(2)19(14)27-13-17(23)22-8-5-4-6-9-22/h11-12H,4-10,13H2,1-3H3,(H,24,25).
What are the key properties of 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid?
3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid has a molecular weight of 376.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).