3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid

C15H17ClFNO3 — CID 62218001

IUPAC3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H17ClFNO3/c16-11-2-3-12(13(17)9-11)15(21)18-7-5-10(6-8-18)1-4-14(19)20/h2-3,9-10H,1,4-8H2,(H,19,20)
InChIKeyUUGVTALVYXZSHV-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.20
Rot. Bonds4

About 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid

3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid (PubChem CID 62218001) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
PubChem CID62218001
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H17ClFNO3/c16-11-2-3-12(13(17)9-11)15(21)18-7-5-10(6-8-18)1-4-14(19)20/h2-3,9-10H,1,4-8H2,(H,19,20)
InChIKeyUUGVTALVYXZSHV-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
3-[1-(5-chloro-2-methylbenzoyl)piperidin-4-yl]propanoic acid
CID 82877917
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
3-[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 81265149
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
3-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-yl]propanoic acid
CID 114866899
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
4-[[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021281
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid (CID 62218001) is 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid?
The InChIKey is UUGVTALVYXZSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c16-11-2-3-12(13(17)9-11)15(21)18-7-5-10(6-8-18)1-4-14(19)20/h2-3,9-10H,1,4-8H2,(H,19,20).
What are the key properties of 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid?
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid has a molecular weight of 313.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62218001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).