[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate

C21H23N3O4 — CID 11394909

IUPAC[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(C)C(=O)Oc2ccc(N3C(=O)CC(C)(C)CC3=O)cn2)c1
InChIInChI=1S/C21H23N3O4/c1-14-6-5-7-15(10-14)23(4)20(27)28-17-9-8-16(13-22-17)24-18(25)11-21(2,3)12-19(24)26/h5-10,13H,11-12H2,1-4H3
InChIKeyURMQJXJXIJAFDS-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.70
Rot. Bonds3

About [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate

[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate (PubChem CID 11394909) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate
PubChem CID11394909
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(C)C(=O)Oc2ccc(N3C(=O)CC(C)(C)CC3=O)cn2)c1
InChIInChI=1S/C21H23N3O4/c1-14-6-5-7-15(10-14)23(4)20(27)28-17-9-8-16(13-22-17)24-18(25)11-21(2,3)12-19(24)26/h5-10,13H,11-12H2,1-4H3
InChIKeyURMQJXJXIJAFDS-UHFFFAOYSA-N
XLogP3.70
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate?
The IUPAC name of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate (CID 11394909) is [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate.
What is the SMILES notation for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate?
The canonical SMILES for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate is Cc1cccc(N(C)C(=O)Oc2ccc(N3C(=O)CC(C)(C)CC3=O)cn2)c1.
What is the InChIKey of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate?
The InChIKey is URMQJXJXIJAFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-6-5-7-15(10-14)23(4)20(27)28-17-9-8-16(13-22-17)24-18(25)11-21(2,3)12-19(24)26/h5-10,13H,11-12H2,1-4H3.
What are the key properties of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate?
[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate has a molecular weight of 381.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 11394909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).