(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

C14H17FN2O3 — CID 81121086

IUPAC(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-16(12-6-4-11(15)5-7-12)14(20)17-8-2-3-10(9-17)13(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyCIMYNQTUNURJOT-SNVBAGLBSA-N
MW280.30 g/mol
LogP2.18
Rot. Bonds2

About (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81121086) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81121086
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-16(12-6-4-11(15)5-7-12)14(20)17-8-2-3-10(9-17)13(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyCIMYNQTUNURJOT-SNVBAGLBSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120278
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032088
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
CID 86782489
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide
CID 126806042

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81121086) is (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is CN(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CIMYNQTUNURJOT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-16(12-6-4-11(15)5-7-12)14(20)17-8-2-3-10(9-17)13(18)19/h4-7,10H,2-3,8-9H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81121086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).