N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide

C26H40N6O3 — CID 167091563

IUPACN-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(N3CCC(N(C)CC4CCNCC4)CC3)ccc21
InChIInChI=1S/C26H40N6O3/c1-27-25(34)23(5-4-16-33)32-22-7-6-21(17-24(22)30(3)26(32)35)31-14-10-20(11-15-31)29(2)18-19-8-12-28-13-9-19/h6-7,16-17,19-20,23,28H,4-5,8-15,18H2,1-3H3,(H,27,34)
InChIKeyLZGMUMPIPMNYHV-UHFFFAOYSA-N
MW484.65 g/mol
LogP1.51
Rot. Bonds9

About N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide

N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (PubChem CID 167091563) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
PubChem CID167091563
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC NameN-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(N3CCC(N(C)CC4CCNCC4)CC3)ccc21
InChIInChI=1S/C26H40N6O3/c1-27-25(34)23(5-4-16-33)32-22-7-6-21(17-24(22)30(3)26(32)35)31-14-10-20(11-15-31)29(2)18-19-8-12-28-13-9-19/h6-7,16-17,19-20,23,28H,4-5,8-15,18H2,1-3H3,(H,27,34)
InChIKeyLZGMUMPIPMNYHV-UHFFFAOYSA-N
XLogP1.51
TPSA91.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)-5-oxopentanamide
CID 155574497
N-methyl-2-[3-methyl-2-oxo-4-(4-piperidin-4-ylpiperazin-1-yl)benzimidazol-1-yl]-5-oxopentanamide
CID 170092912
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide
CID 174243580
N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
CID 176968655
tert-butyl 4-[4-[3-methyl-1-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-oxobenzimidazol-5-yl]cyclohexyl]piperazine-1-carboxylate
CID 170278400
tert-butyl 4-[3-[3-methyl-1-[1-(methylamino)-1,5-dioxopentan-2-yl]-2-oxobenzimidazol-5-yl]propyl]piperazine-1-carboxylate
CID 156860753
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
(3R)-3-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]-methylamino]methyl]pyrrolidine-1-carboxylic acid
CID 170159986
N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
2-(3,5-dimethyl-2-oxobenzimidazol-1-yl)-5-oxopentanamide
CID 146410787
methanamine;N-methyl-2-[5-[4-[2-[(2E)-3-nitro-1,6,7,8,9,10-hexahydro-1,5-diazecin-8-yl]ethyl]piperazin-1-yl]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide
CID 156711945

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (CID 167091563) is N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)n1c(=O)n(C)c2cc(N3CCC(N(C)CC4CCNCC4)CC3)ccc21.
What is the InChIKey of N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The InChIKey is LZGMUMPIPMNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O3/c1-27-25(34)23(5-4-16-33)32-22-7-6-21(17-24(22)30(3)26(32)35)31-14-10-20(11-15-31)29(2)18-19-8-12-28-13-9-19/h6-7,16-17,19-20,23,28H,4-5,8-15,18H2,1-3H3,(H,27,34).
What are the key properties of N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide has a molecular weight of 484.65 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 167091563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).