2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid

C14H15Cl2NO4 — CID 63870230

IUPAC2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H15Cl2NO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19)
InChIKeyJIWATFDNDAMUQJ-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.70
Rot. Bonds4

About 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63870230) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63870230
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H15Cl2NO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19)
InChIKeyJIWATFDNDAMUQJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid (CID 63870230) is 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is JIWATFDNDAMUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19).
What are the key properties of 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 332.18 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63870230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).