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

C17H23FN2O3 — CID 142751687

IUPAC1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCCN[C@H](CC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-2-19-15(12-5-7-14(18)8-6-12)10-16(21)20-9-3-4-13(11-20)17(22)23/h5-8,13,15,19H,2-4,9-11H2,1H3,(H,22,23)/t13?,15-/m1/s1
InChIKeyXCUGXDBAOBKOON-AWKYBWMHSA-N
MW322.38 g/mol
LogP2.19
Rot. Bonds6

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

1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 142751687) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID142751687
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
SMILESCCN[C@H](CC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-2-19-15(12-5-7-14(18)8-6-12)10-16(21)20-9-3-4-13(11-20)17(22)23/h5-8,13,15,19H,2-4,9-11H2,1H3,(H,22,23)/t13?,15-/m1/s1
InChIKeyXCUGXDBAOBKOON-AWKYBWMHSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid (CID 142751687) is 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid is CCN[C@H](CC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is XCUGXDBAOBKOON-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-19-15(12-5-7-14(18)8-6-12)10-16(21)20-9-3-4-13(11-20)17(22)23/h5-8,13,15,19H,2-4,9-11H2,1H3,(H,22,23)/t13?,15-/m1/s1.
What are the key properties of 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(ethylamino)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 142751687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).