1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid

C16H19F2NO4 — CID 119166789

IUPAC1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-13-4-1-11(2-5-13)3-6-14(20)19-9-7-12(8-10-19)15(21)22/h1-2,4-5,12,16H,3,6-10H2,(H,21,22)
InChIKeyLNQWEQOEZUPSDY-UHFFFAOYSA-N
MW327.33 g/mol
LogP2.54
Rot. Bonds6

About 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid

1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid (PubChem CID 119166789) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
PubChem CID119166789
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H19F2NO4/c17-16(18)23-13-4-1-11(2-5-13)3-6-14(20)19-9-7-12(8-10-19)15(21)22/h1-2,4-5,12,16H,3,6-10H2,(H,21,22)
InChIKeyLNQWEQOEZUPSDY-UHFFFAOYSA-N
XLogP2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119545666
3-cyclopentyl-1-[4-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperazin-1-yl]propan-1-one
CID 78851506
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one
CID 78848368
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one
CID 78853159
3-[4-(difluoromethoxy)phenyl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119491882
3-[4-(difluoromethoxy)phenyl]-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78848378
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119436726
3-[4-(difluoromethoxy)phenyl]-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 78848115
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid (CID 119166789) is 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is LNQWEQOEZUPSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO4/c17-16(18)23-13-4-1-11(2-5-13)3-6-14(20)19-9-7-12(8-10-19)15(21)22/h1-2,4-5,12,16H,3,6-10H2,(H,21,22).
What are the key properties of 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid?
1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 327.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).