(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid

C14H17FN2O4 — CID 81120687

IUPAC(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(F)c(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O4/c1-21-10-4-5-11(15)12(7-10)16-14(20)17-6-2-3-9(8-17)13(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)/t9-/m1/s1
InChIKeyZUOHDFILUNBDMD-SECBINFHSA-N
MW296.30 g/mol
LogP2.16
Rot. Bonds3

About (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120687) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120687
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(F)c(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O4/c1-21-10-4-5-11(15)12(7-10)16-14(20)17-6-2-3-9(8-17)13(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)/t9-/m1/s1
InChIKeyZUOHDFILUNBDMD-SECBINFHSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087463
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120687) is (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid is COc1ccc(F)c(NC(=O)N2CCC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZUOHDFILUNBDMD-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-10-4-5-11(15)12(7-10)16-14(20)17-6-2-3-9(8-17)13(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).