1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione

C22H30N4O4 — CID 146599446

IUPAC1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(CCCOC4CCNCC4)cccc32)C1=O
InChIInChI=1S/C22H30N4O4/c1-24-19(27)9-8-18(21(24)28)26-17-7-3-5-15(20(17)25(2)22(26)29)6-4-14-30-16-10-12-23-13-11-16/h3,5,7,16,18,23H,4,6,8-14H2,1-2H3
InChIKeyPWFZANVMCQYXAP-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.36
Rot. Bonds6

About 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione

1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 146599446) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione
PubChem CID146599446
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(CCCOC4CCNCC4)cccc32)C1=O
InChIInChI=1S/C22H30N4O4/c1-24-19(27)9-8-18(21(24)28)26-17-7-3-5-15(20(17)25(2)22(26)29)6-4-14-30-16-10-12-23-13-11-16/h3,5,7,16,18,23H,4,6,8-14H2,1-2H3
InChIKeyPWFZANVMCQYXAP-UHFFFAOYSA-N
XLogP1.36
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[3-methyl-2-oxo-4-(7-piperidin-4-yloxyheptyl)benzimidazol-1-yl]piperidine-2,5-dione
CID 170320352
1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567416
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
CID 171554865
1-methyl-3-[3-methyl-2-oxo-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320387
1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171554814
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
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethoxy)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 146599253
3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine
CID 155750823
3-[3-methyl-2-oxo-4-(4-oxo-4-piperazin-1-ylbutyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599424
3-[4-[3-(3,9-diazaspiro[5.5]undecan-3-yl)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146599142

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione (CID 146599446) is 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione is CN1C(=O)CCC(n2c(=O)n(C)c3c(CCCOC4CCNCC4)cccc32)C1=O.
What is the InChIKey of 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is PWFZANVMCQYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-24-19(27)9-8-18(21(24)28)26-17-7-3-5-15(20(17)25(2)22(26)29)6-4-14-30-16-10-12-23-13-11-16/h3,5,7,16,18,23H,4,6,8-14H2,1-2H3.
What are the key properties of 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione?
1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 414.51 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146599446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).