2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H23N3O5 — CID 7836697

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H23N3O5/c27-20-18-8-4-5-9-19(18)21(28)26(20)14-15-31-22(29)16-10-12-25(13-11-16)23(30)24-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,30)
InChIKeySBHUHHPBXWNWQM-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.77
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836697) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836697
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H23N3O5/c27-20-18-8-4-5-9-19(18)21(28)26(20)14-15-31-22(29)16-10-12-25(13-11-16)23(30)24-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,30)
InChIKeySBHUHHPBXWNWQM-UHFFFAOYSA-N
XLogP2.77
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836469
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
2-(4-methoxyphenyl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899069
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899062
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150714
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
1-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 108874824
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836697) is 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is SBHUHHPBXWNWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c27-20-18-8-4-5-9-19(18)21(28)26(20)14-15-31-22(29)16-10-12-25(13-11-16)23(30)24-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).