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

C16H20FN3O4 — CID 119350889

IUPAC3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C16H20FN3O4/c17-12-5-1-2-6-13(12)19-16(24)20-9-3-4-11(10-20)15(23)18-8-7-14(21)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyNBZYKKVVRFKAGM-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.66
Rot. Bonds5

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

3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 119350889) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
PubChem CID119350889
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C16H20FN3O4/c17-12-5-1-2-6-13(12)19-16(24)20-9-3-4-11(10-20)15(23)18-8-7-14(21)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyNBZYKKVVRFKAGM-UHFFFAOYSA-N
XLogP1.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
1-N-(2-fluorophenyl)-3-N-(2-piperidin-3-ylethyl)piperidine-1,3-dicarboxamide
CID 119556343
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid (CID 119350889) is 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is NBZYKKVVRFKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c17-12-5-1-2-6-13(12)19-16(24)20-9-3-4-11(10-20)15(23)18-8-7-14(21)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid?
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 337.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119350889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).