3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid

C17H21FN2O4 — CID 119220587

IUPAC3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-11(9-15(21)22)19-16(23)13-3-2-8-20(10-13)17(24)12-4-6-14(18)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyPJWXABULFYBREL-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.66
Rot. Bonds5

About 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid

3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 119220587) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
PubChem CID119220587
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-11(9-15(21)22)19-16(23)13-3-2-8-20(10-13)17(24)12-4-6-14(18)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyPJWXABULFYBREL-UHFFFAOYSA-N
XLogP1.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
methyl 2-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]-4-methylpentanoate
CID 51276366
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid (CID 119220587) is 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is PJWXABULFYBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-11(9-15(21)22)19-16(23)13-3-2-8-20(10-13)17(24)12-4-6-14(18)7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid?
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 336.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).