1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid

C18H22N2O5 — CID 119137800

IUPAC1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H22N2O5/c21-16-5-3-11-19(16)13-6-8-14(9-7-13)25-12-17(22)20-10-2-1-4-15(20)18(23)24/h6-9,15H,1-5,10-12H2,(H,23,24)
InChIKeyWECBDXMDIJYJNM-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid

1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid (PubChem CID 119137800) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
PubChem CID119137800
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H22N2O5/c21-16-5-3-11-19(16)13-6-8-14(9-7-13)25-12-17(22)20-10-2-1-4-15(20)18(23)24/h6-9,15H,1-5,10-12H2,(H,23,24)
InChIKeyWECBDXMDIJYJNM-UHFFFAOYSA-N
XLogP1.66
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one;hydrochloride
CID 119633021
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 79035220
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
1-[4-[2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 37447956
1-[4-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 47025602
1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 37447954
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid (CID 119137800) is 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid?
The InChIKey is WECBDXMDIJYJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-16-5-3-11-19(16)13-6-8-14(9-7-13)25-12-17(22)20-10-2-1-4-15(20)18(23)24/h6-9,15H,1-5,10-12H2,(H,23,24).
What are the key properties of 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid?
1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119137800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).