1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid

C15H19FN2O3 — CID 82163378

IUPAC1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NCN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19FN2O3/c16-13-3-1-11(2-4-13)9-14(19)17-10-18-7-5-12(6-8-18)15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21)
InChIKeyPRQCNKPEYVLWEN-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.24
Rot. Bonds5

About 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid

1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid (PubChem CID 82163378) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
PubChem CID82163378
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)NCN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19FN2O3/c16-13-3-1-11(2-4-13)9-14(19)17-10-18-7-5-12(6-8-18)15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21)
InChIKeyPRQCNKPEYVLWEN-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid
CID 82163424
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 82163375
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid (CID 82163378) is 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid is O=C(Cc1ccc(F)cc1)NCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid?
The InChIKey is PRQCNKPEYVLWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-3-1-11(2-4-13)9-14(19)17-10-18-7-5-12(6-8-18)15(20)21/h1-4,12H,5-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid?
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82163378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).