3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid

C15H18F2N2O4 — CID 122019186

IUPAC3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O4/c16-10-1-2-13(12(17)9-10)23-11-4-7-19(8-5-11)15(22)18-6-3-14(20)21/h1-2,9,11H,3-8H2,(H,18,22)(H,20,21)
InChIKeyCNOLCEOEDCSTEJ-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.99
Rot. Bonds5

About 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid

3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 122019186) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.31 g/mol. Its IUPAC name is 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID122019186
Molecular FormulaC15H18F2N2O4
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC Name3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H18F2N2O4/c16-10-1-2-13(12(17)9-10)23-11-4-7-19(8-5-11)15(22)18-6-3-14(20)21/h1-2,9,11H,3-8H2,(H,18,22)(H,20,21)
InChIKeyCNOLCEOEDCSTEJ-UHFFFAOYSA-N
XLogP1.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide
CID 136514721
3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
CID 82294566
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
4-(2,4-difluorophenoxy)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139000355
3-[[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018064
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 112836286

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid (CID 122019186) is 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is CNOLCEOEDCSTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c16-10-1-2-13(12(17)9-10)23-11-4-7-19(8-5-11)15(22)18-6-3-14(20)21/h1-2,9,11H,3-8H2,(H,18,22)(H,20,21).
What are the key properties of 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid?
3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 328.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).