1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

C15H19FN2O4 — CID 122076630

IUPAC1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19FN2O4/c1-2-22-13-8-11(16)5-6-12(13)17-15(21)18-7-3-4-10(9-18)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyCSRDBPIBSJMDFM-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.55
Rot. Bonds4

About 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122076630) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122076630
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19FN2O4/c1-2-22-13-8-11(16)5-6-12(13)17-15(21)18-7-3-4-10(9-18)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyCSRDBPIBSJMDFM-UHFFFAOYSA-N
XLogP2.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102573
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395
(3aS,6aR)-2-[(2-ethoxy-4-fluorophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076626
N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
CID 92633104
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 122076630) is 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is CCOc1cc(F)ccc1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CSRDBPIBSJMDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-2-22-13-8-11(16)5-6-12(13)17-15(21)18-7-3-4-10(9-18)14(19)20/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122076630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).