4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid

C15H19FN2O3 — CID 63125610

IUPAC4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c1-2-15(13(19)20)7-9-18(10-8-15)14(21)17-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyNWYXZPXQVLOJDB-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.93
Rot. Bonds3

About 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63125610) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63125610
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3/c1-2-15(13(19)20)7-9-18(10-8-15)14(21)17-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyNWYXZPXQVLOJDB-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107
1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823
1-[(2-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
4-carbamothioyl-N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 107161223
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 63327650
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid (CID 63125610) is 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NWYXZPXQVLOJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-15(13(19)20)7-9-18(10-8-15)14(21)17-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63125610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).