3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid

C16H21FN2O3 — CID 53215775

IUPAC3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCCC(C(=O)NC(Cc2cccc(F)c2)C(=O)O)C1
InChIInChI=1S/C16H21FN2O3/c1-19-7-3-5-12(10-19)15(20)18-14(16(21)22)9-11-4-2-6-13(17)8-11/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyYWDCQNJONUVQEW-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.28
Rot. Bonds5

About 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid

3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid (PubChem CID 53215775) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
PubChem CID53215775
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid
SMILESCN1CCCC(C(=O)NC(Cc2cccc(F)c2)C(=O)O)C1
InChIInChI=1S/C16H21FN2O3/c1-19-7-3-5-12(10-19)15(20)18-14(16(21)22)9-11-4-2-6-13(17)8-11/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyYWDCQNJONUVQEW-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]propanoic acid
CID 53215791
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid (CID 53215775) is 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid is CN1CCCC(C(=O)NC(Cc2cccc(F)c2)C(=O)O)C1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
The InChIKey is YWDCQNJONUVQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-19-7-3-5-12(10-19)15(20)18-14(16(21)22)9-11-4-2-6-13(17)8-11/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid?
3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid has a molecular weight of 308.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[(1-methylpiperidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 53215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).