2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid

C13H14ClNO3 — CID 82345122

IUPAC2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESO=C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H14ClNO3/c14-10-3-1-9(2-4-10)12(13(17)18)15-7-5-11(16)6-8-15/h1-4,12H,5-8H2,(H,17,18)
InChIKeyYIEMSKKQZVFWAZ-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid

2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid (PubChem CID 82345122) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
PubChem CID82345122
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESO=C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H14ClNO3/c14-10-3-1-9(2-4-10)12(13(17)18)15-7-5-11(16)6-8-15/h1-4,12H,5-8H2,(H,17,18)
InChIKeyYIEMSKKQZVFWAZ-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84746485
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84751205
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
CID 86285536
2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CID 168701618
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid (CID 82345122) is 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid is O=C1CCN(C(C(=O)O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The InChIKey is YIEMSKKQZVFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-3-1-9(2-4-10)12(13(17)18)15-7-5-11(16)6-8-15/h1-4,12H,5-8H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid has a molecular weight of 267.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid is sourced from PubChem (CID 82345122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).