1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione

C18H23N5O3 — CID 164567416

IUPAC1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCNCC4)cccc32)C1=O
InChIInChI=1S/C18H23N5O3/c1-20-15(24)7-6-14(17(20)25)23-13-5-3-4-12(16(13)21(2)18(23)26)22-10-8-19-9-11-22/h3-5,14,19H,6-11H2,1-2H3
InChIKeyKLZVNPAGVJQWSL-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.07
Rot. Bonds2

About 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione

1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 164567416) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID164567416
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCNCC4)cccc32)C1=O
InChIInChI=1S/C18H23N5O3/c1-20-15(24)7-6-14(17(20)25)23-13-5-3-4-12(16(13)21(2)18(23)26)22-10-8-19-9-11-22/h3-5,14,19H,6-11H2,1-2H3
InChIKeyKLZVNPAGVJQWSL-UHFFFAOYSA-N
XLogP0.07
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
CID 171554865
tert-butyl N-methyl-N-[1-[3-methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-4-yl]piperidin-4-yl]carbamate
CID 155437928
1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171554814
1-methyl-3-[3-methyl-2-oxo-4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320387
3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
CID 171475046
1-methyl-3-[3-methyl-2-oxo-4-(3-piperidin-4-yloxypropyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599446
3-[4-(2,8-diazaspiro[4.5]decan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 178005451
3-[4-(4-aminopiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156823555
1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidine-3-carbaldehyde
CID 166537251
3-[4-[(3S)-3-methoxypiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169120224
3-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 164568094
3-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]-1-oxidopiperidin-1-ium-2,6-dione
CID 171063322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 164567416) is 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione is CN1C(=O)CCC(n2c(=O)n(C)c3c(N4CCNCC4)cccc32)C1=O.
What is the InChIKey of 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is KLZVNPAGVJQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-20-15(24)7-6-14(17(20)25)23-13-5-3-4-12(16(13)21(2)18(23)26)22-10-8-19-9-11-22/h3-5,14,19H,6-11H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 357.41 g/mol, XLogP of 0.07, 2 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-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 164567416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).