3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid

C23H24ClNO5 — CID 142868342

IUPAC3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H24ClNO5/c24-19-6-4-17(5-7-19)23(29)18-11-13-25(14-12-18)21(26)15-30-20-8-1-16(2-9-20)3-10-22(27)28/h1-2,4-9,18H,3,10-15H2,(H,27,28)
InChIKeyOSKGWZDDEKWDHL-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.86
Rot. Bonds8

About 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid

3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid (PubChem CID 142868342) has the molecular formula C23H24ClNO5 and a molecular weight of 429.90 g/mol. Its IUPAC name is 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
PubChem CID142868342
Molecular FormulaC23H24ClNO5
Molecular Weight429.90 g/mol
Exact Mass429.13
IUPAC Name3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H24ClNO5/c24-19-6-4-17(5-7-19)23(29)18-11-13-25(14-12-18)21(26)15-30-20-8-1-16(2-9-20)3-10-22(27)28/h1-2,4-9,18H,3,10-15H2,(H,27,28)
InChIKeyOSKGWZDDEKWDHL-UHFFFAOYSA-N
XLogP3.86
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108534117
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid (CID 142868342) is 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid?
The InChIKey is OSKGWZDDEKWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO5/c24-19-6-4-17(5-7-19)23(29)18-11-13-25(14-12-18)21(26)15-30-20-8-1-16(2-9-20)3-10-22(27)28/h1-2,4-9,18H,3,10-15H2,(H,27,28).
What are the key properties of 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid?
3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid has a molecular weight of 429.90 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]propanoic acid is sourced from PubChem (CID 142868342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).