2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid

C21H22ClNO4 — CID 119178255

IUPAC2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H22ClNO4/c22-18-13-17(16-4-2-1-3-5-16)6-7-19(18)27-14-20(24)23-10-8-15(9-11-23)12-21(25)26/h1-7,13,15H,8-12,14H2,(H,25,26)
InChIKeyYNDBLRRSCFYMBZ-UHFFFAOYSA-N
MW387.86 g/mol
LogP4.10
Rot. Bonds6

About 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid (PubChem CID 119178255) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
PubChem CID119178255
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC Name2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C21H22ClNO4/c22-18-13-17(16-4-2-1-3-5-16)6-7-19(18)27-14-20(24)23-10-8-15(9-11-23)12-21(25)26/h1-7,13,15H,8-12,14H2,(H,25,26)
InChIKeyYNDBLRRSCFYMBZ-UHFFFAOYSA-N
XLogP4.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645425
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-phenylphenoxy)ethanone
CID 124611392
2-(2-chloro-4-phenylphenoxy)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 17436000
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 46454463
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid (CID 119178255) is 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)CC1.
What is the InChIKey of 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is YNDBLRRSCFYMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO4/c22-18-13-17(16-4-2-1-3-5-16)6-7-19(18)27-14-20(24)23-10-8-15(9-11-23)12-21(25)26/h1-7,13,15H,8-12,14H2,(H,25,26).
What are the key properties of 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 387.86 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).