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

C19H26N2O5 — CID 119349055

IUPAC2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
SMILESCc1cc(C(=O)NC(C)C(=O)O)cc(C)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-12-9-15(18(23)20-14(3)19(24)25)10-13(2)17(12)26-11-16(22)21-7-5-4-6-8-21/h9-10,14H,4-8,11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyWVQAEYXQOIAYRB-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.90
Rot. Bonds6

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

2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid (PubChem CID 119349055) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
PubChem CID119349055
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
SMILESCc1cc(C(=O)NC(C)C(=O)O)cc(C)c1OCC(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-12-9-15(18(23)20-14(3)19(24)25)10-13(2)17(12)26-11-16(22)21-7-5-4-6-8-21/h9-10,14H,4-8,11H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyWVQAEYXQOIAYRB-UHFFFAOYSA-N
XLogP1.90
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 166208003
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-propan-2-ylamino]acetic acid
CID 120580828
3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 119362860
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
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
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 120576931
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119490646
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120576930

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid (CID 119349055) is 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid is Cc1cc(C(=O)NC(C)C(=O)O)cc(C)c1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid?
The InChIKey is WVQAEYXQOIAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-12-9-15(18(23)20-14(3)19(24)25)10-13(2)17(12)26-11-16(22)21-7-5-4-6-8-21/h9-10,14H,4-8,11H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid?
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid has a molecular weight of 362.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119349055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).