3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C23H32N4O4 — CID 175985107

IUPAC3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(COC3CCN(C(C)(C)C)CC3)c21
InChIInChI=1S/C23H32N4O4/c1-23(2,3)26-12-10-16(11-13-26)31-14-15-6-5-7-17-20(15)25(4)22(30)27(17)18-8-9-19(28)24-21(18)29/h5-7,16,18H,8-14H2,1-4H3,(H,24,28,29)
InChIKeyNSOGVDCVONGQDB-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.10
Rot. Bonds4

About 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 175985107) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID175985107
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(COC3CCN(C(C)(C)C)CC3)c21
InChIInChI=1S/C23H32N4O4/c1-23(2,3)26-12-10-16(11-13-26)31-14-15-6-5-7-17-20(15)25(4)22(30)27(17)18-8-9-19(28)24-21(18)29/h5-7,16,18H,8-14H2,1-4H3,(H,24,28,29)
InChIKeyNSOGVDCVONGQDB-UHFFFAOYSA-N
XLogP2.10
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethoxy)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 146599253
3-[3-methyl-4-[[4-(methylamino)piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138696058
tert-butyl N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]carbamate
CID 138696063
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butanoate
CID 146598344
3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidine-1-carboxylate
CID 146599088
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperazine-1-carboxylate
CID 156861046
tert-butyl 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]ethoxy]-7-azaspiro[3.5]nonane-7-carboxylate
CID 146598752

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 175985107) is 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(COC3CCN(C(C)(C)C)CC3)c21.
What is the InChIKey of 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is NSOGVDCVONGQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-23(2,3)26-12-10-16(11-13-26)31-14-15-6-5-7-17-20(15)25(4)22(30)27(17)18-8-9-19(28)24-21(18)29/h5-7,16,18H,8-14H2,1-4H3,(H,24,28,29).
What are the key properties of 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 428.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-tert-butylpiperidin-4-yl)oxymethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 175985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).