3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid

C15H18FN3O4 — CID 122017791

IUPAC3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FN3O4/c16-12-3-1-2-11(10-12)14(22)18-6-8-19(9-7-18)15(23)17-5-4-13(20)21/h1-3,10H,4-9H2,(H,17,23)(H,20,21)
InChIKeyFWYFZTSYQGJARC-UHFFFAOYSA-N
MW323.32 g/mol
LogP0.77
Rot. Bonds4

About 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid

3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 122017791) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID122017791
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Name3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FN3O4/c16-12-3-1-2-11(10-12)14(22)18-6-8-19(9-7-18)15(23)17-5-4-13(20)21/h1-3,10H,4-9H2,(H,17,23)(H,20,21)
InChIKeyFWYFZTSYQGJARC-UHFFFAOYSA-N
XLogP0.77
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]amino]propanoic acid
CID 122017797
3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
4-[[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021551
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
3-[[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018064
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
N-tert-butyl-4-(3-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811477
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid (CID 122017791) is 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is FWYFZTSYQGJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c16-12-3-1-2-11(10-12)14(22)18-6-8-19(9-7-18)15(23)17-5-4-13(20)21/h1-3,10H,4-9H2,(H,17,23)(H,20,21).
What are the key properties of 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 323.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122017791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).