4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide

C20H22F2N2O4 — CID 68975518

IUPAC4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1.O=C(O)N1CCC(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2.C7H7NO2/c14-11-2-1-10(12(15)8-11)7-9-3-5-16(6-4-9)13(17)18;8-7(10)5-1-3-6(9)4-2-5/h1-2,8-9H,3-7H2,(H,17,18);1-4,9H,(H2,8,10)
InChIKeyQDXUROAOKNNOSP-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.39
Rot. Bonds3

About 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide

4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide (PubChem CID 68975518) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
PubChem CID68975518
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1.O=C(O)N1CCC(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H15F2NO2.C7H7NO2/c14-11-2-1-10(12(15)8-11)7-9-3-5-16(6-4-9)13(17)18;8-7(10)5-1-3-6(9)4-2-5/h1-2,8-9H,3-7H2,(H,17,18);1-4,9H,(H2,8,10)
InChIKeyQDXUROAOKNNOSP-UHFFFAOYSA-N
XLogP3.39
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68972515
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]methanone
CID 171680977
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
4-[[2-(2-aminoethoxy)-3-chloro-4-fluorophenyl]methyl]piperidine-1-carboxylic acid
CID 141177829
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
tert-butyl 4-[(2,4-difluorophenyl)methylidene]piperidine-1-carboxylate;tert-butyl 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylate
CID 159612931
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 154803243
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide (CID 68975518) is 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide is NC(=O)c1ccc(O)cc1.O=C(O)N1CCC(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
The InChIKey is QDXUROAOKNNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2.C7H7NO2/c14-11-2-1-10(12(15)8-11)7-9-3-5-16(6-4-9)13(17)18;8-7(10)5-1-3-6(9)4-2-5/h1-2,8-9H,3-7H2,(H,17,18);1-4,9H,(H2,8,10).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide?
4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide has a molecular weight of 392.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide is sourced from PubChem (CID 68975518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).