(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione

C17H21N5O3 — CID 170706486

IUPAC(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n([C@@H]2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H21N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,18H,4-9H2,1H3,(H,19,23,24)/t13-/m1/s1
InChIKeyOKHCRDBBACBERD-CYBMUJFWSA-N
MW343.39 g/mol
LogP-0.27
Rot. Bonds2

About (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione

(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 170706486) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID170706486
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCn1c(=O)n([C@@H]2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H21N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,18H,4-9H2,1H3,(H,19,23,24)/t13-/m1/s1
InChIKeyOKHCRDBBACBERD-CYBMUJFWSA-N
XLogP-0.27
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 166451583
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)palmitamide
CID 25105697
2-(3-(1-cyclodecylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880032
N-(3-{4-[3-(1,3-dioxohexahydroimidazo[1,5-a]pyridin-2(3H)-yl)propyl]-1-piperazinyl}phenyl)-2-methylpropanamide
CID 4688504
2-[4-[4-(3-aminophenyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 10524152
N-(3-{4-[3-(1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-propyl]-piperazin-1-yl}-phenyl)-isobutyramide
CID 10836894
2-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 10665976
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2,2-dimethylpropanamide
CID 22432992
5-[3-Oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 42909982
2-oxo-N-piperidin-4-yl-3-propan-2-ylbenzimidazole-1-carboxamide
CID 44248794
2-(3-(1-cyclopentylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46879992
2-(3-(1-cyclohexylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46879993

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 170706486) is (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione is Cn1c(=O)n([C@@H]2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21.
What is the InChIKey of (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is OKHCRDBBACBERD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-20-14-10-11(21-8-6-18-7-9-21)2-3-12(14)22(17(20)25)13-4-5-15(23)19-16(13)24/h2-3,10,13,18H,4-9H2,1H3,(H,19,23,24)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione?
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 343.39 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 170706486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).