1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid

C17H23FN2O4 — CID 122008715

IUPAC1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O4/c1-11(15(24-2)12-3-5-14(18)6-4-12)19-17(23)20-9-7-13(8-10-20)16(21)22/h3-6,11,13,15H,7-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFYCWBHZNFGVZHG-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.41
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122008715) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122008715
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23FN2O4/c1-11(15(24-2)12-3-5-14(18)6-4-12)19-17(23)20-9-7-13(8-10-20)16(21)22/h3-6,11,13,15H,7-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyFYCWBHZNFGVZHG-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122008720
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
CID 122004761
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-[[1-(2-chlorophenyl)-1-methoxypropan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123510
1-[1-(2,4-difluorophenyl)butylcarbamoyl]piperidine-4-carboxylic acid
CID 122006451
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122008715) is 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid is COC(c1ccc(F)cc1)C(C)NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FYCWBHZNFGVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-11(15(24-2)12-3-5-14(18)6-4-12)19-17(23)20-9-7-13(8-10-20)16(21)22/h3-6,11,13,15H,7-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122008715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).