(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

C15H19FN2O3 — CID 81119032

IUPAC(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-2-18(13-8-4-3-7-12(13)16)15(21)17-9-5-6-11(10-17)14(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyXTSZYRQWCBSTNH-NSHDSACASA-N
MW294.33 g/mol
LogP2.57
Rot. Bonds3

About (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119032) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81119032
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-2-18(13-8-4-3-7-12(13)16)15(21)17-9-5-6-11(10-17)14(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyXTSZYRQWCBSTNH-NSHDSACASA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
3-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550638
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
(3S)-1-[2-(2,3-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81126045
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81119032) is (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is CCN(C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1F.
What is the InChIKey of (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XTSZYRQWCBSTNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-18(13-8-4-3-7-12(13)16)15(21)17-9-5-6-11(10-17)14(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).