4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid

C19H23NO5 — CID 175902612

IUPAC4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
SMILESCc1cc([C@H]2CCC(=O)NC2=O)ccc1OC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO5/c1-11-10-13(15-7-9-17(21)20-18(15)22)4-8-16(11)25-14-5-2-12(3-6-14)19(23)24/h4,8,10,12,14-15H,2-3,5-7,9H2,1H3,(H,23,24)(H,20,21,22)/t12?,14?,15-/m1/s1
InChIKeyKOSFDMYBMKYKRO-PESDSKBTSA-N
MW345.40 g/mol
LogP2.54
Rot. Bonds4

About 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid

4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid (PubChem CID 175902612) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
PubChem CID175902612
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
SMILESCc1cc([C@H]2CCC(=O)NC2=O)ccc1OC1CCC(C(=O)O)CC1
InChIInChI=1S/C19H23NO5/c1-11-10-13(15-7-9-17(21)20-18(15)22)4-8-16(11)25-14-5-2-12(3-6-14)19(23)24/h4,8,10,12,14-15H,2-3,5-7,9H2,1H3,(H,23,24)(H,20,21,22)/t12?,14?,15-/m1/s1
InChIKeyKOSFDMYBMKYKRO-PESDSKBTSA-N
XLogP2.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 168882197
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 170952357
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]prop-2-ynoxy]cyclobutane-1-carboxylic acid
CID 171853489
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)pyrimidin-2-yl]oxycyclohexane-1-carboxylate
CID 170668414
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
4-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-yloxyisoindole-1,3-dione
CID 170631414
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
CID 146573435
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid (CID 175902612) is 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid is Cc1cc([C@H]2CCC(=O)NC2=O)ccc1OC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid?
The InChIKey is KOSFDMYBMKYKRO-PESDSKBTSA-N. The full InChI is InChI=1S/C19H23NO5/c1-11-10-13(15-7-9-17(21)20-18(15)22)4-8-16(11)25-14-5-2-12(3-6-14)19(23)24/h4,8,10,12,14-15H,2-3,5-7,9H2,1H3,(H,23,24)(H,20,21,22)/t12?,14?,15-/m1/s1.
What are the key properties of 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid?
4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175902612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).