N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide

C30H50N4O2 — CID 25105697

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C30H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)31-22-25-33-23-20-26(21-24-33)34-28-18-16-15-17-27(28)32-30(34)36/h15-18,26H,2-14,19-25H2,1H3,(H,31,35)(H,32,36)
InChIKeyWBYNNXAAHMFJJC-UHFFFAOYSA-N
MW498.76 g/mol
LogP6.56
Rot. Bonds18

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide (PubChem CID 25105697) has the molecular formula C30H50N4O2 and a molecular weight of 498.76 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide
PubChem CID25105697
Molecular FormulaC30H50N4O2
Molecular Weight498.76 g/mol
Exact Mass498.39
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C30H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)31-22-25-33-23-20-26(21-24-33)34-28-18-16-15-17-27(28)32-30(34)36/h15-18,26H,2-14,19-25H2,1H3,(H,31,35)(H,32,36)
InChIKeyWBYNNXAAHMFJJC-UHFFFAOYSA-N
XLogP6.56
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.76
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide (CID 25105697) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide?
The InChIKey is WBYNNXAAHMFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)31-22-25-33-23-20-26(21-24-33)34-28-18-16-15-17-27(28)32-30(34)36/h15-18,26H,2-14,19-25H2,1H3,(H,31,35)(H,32,36).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide has a molecular weight of 498.76 g/mol, XLogP of 6.56, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]hexadecanamide is sourced from PubChem (CID 25105697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).