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

C16H18F2N2O4 — CID 119177053

IUPAC3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H18F2N2O4/c17-11-1-2-12(13(18)9-11)16(24)20-7-4-10(5-8-20)15(23)19-6-3-14(21)22/h1-2,9-10H,3-8H2,(H,19,23)(H,21,22)
InChIKeyWKPFOTQPQBIWAE-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.41
Rot. Bonds5

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

3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid (PubChem CID 119177053) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
PubChem CID119177053
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H18F2N2O4/c17-11-1-2-12(13(18)9-11)16(24)20-7-4-10(5-8-20)15(23)19-6-3-14(21)22/h1-2,9-10H,3-8H2,(H,19,23)(H,21,22)
InChIKeyWKPFOTQPQBIWAE-UHFFFAOYSA-N
XLogP1.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
1-(2,4-difluorobenzoyl)-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 24596971
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
1-(2,4-difluorobenzoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carboxamide
CID 30992946
(E)-2-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693182
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid (CID 119177053) is 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid?
The InChIKey is WKPFOTQPQBIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c17-11-1-2-12(13(18)9-11)16(24)20-7-4-10(5-8-20)15(23)19-6-3-14(21)22/h1-2,9-10H,3-8H2,(H,19,23)(H,21,22).
What are the key properties of 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid?
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid has a molecular weight of 340.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119177053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).