2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid

C14H15Cl2NO3 — CID 78980399

IUPAC2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H15Cl2NO3/c15-10-1-2-11(12(16)8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7H2,(H,18,19)
InChIKeyLHMRCVGYZDVJRE-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid

2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid (PubChem CID 78980399) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
PubChem CID78980399
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H15Cl2NO3/c15-10-1-2-11(12(16)8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7H2,(H,18,19)
InChIKeyLHMRCVGYZDVJRE-UHFFFAOYSA-N
XLogP3.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
CID 120515342
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
2-[1-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178020
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid (CID 78980399) is 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is LHMRCVGYZDVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-1-2-11(12(16)8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7H2,(H,18,19).
What are the key properties of 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid?
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 316.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 78980399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).