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

C29H46N4O3 — CID 176968655

IUPACN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1
InChIInChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35)
InChIKeyYAKKNOMDEFQZAC-UHFFFAOYSA-N
MW498.71 g/mol
LogP4.64
Rot. Bonds13

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

N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (PubChem CID 176968655) has the molecular formula C29H46N4O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
PubChem CID176968655
Molecular FormulaC29H46N4O3
Molecular Weight498.71 g/mol
Exact Mass498.36
IUPAC NameN-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
SMILESCCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1
InChIInChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35)
InChIKeyYAKKNOMDEFQZAC-UHFFFAOYSA-N
XLogP4.64
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (CID 176968655) is N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is CCCC(CCC(C)C)CN1CCC(c2ccc3c(c2)n(C)c(=O)n3C(CCC=O)C(=O)NC)CC1.
What is the InChIKey of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The InChIKey is YAKKNOMDEFQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O3/c1-6-8-22(11-10-21(2)3)20-32-16-14-23(15-17-32)24-12-13-25-27(19-24)31(5)29(36)33(25)26(9-7-18-34)28(35)30-4/h12-13,18-19,21-23,26H,6-11,14-17,20H2,1-5H3,(H,30,35).
What are the key properties of N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide has a molecular weight of 498.71 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-5-[1-(5-methyl-2-propylhexyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 176968655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).