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

C22H34N4O2 — CID 25105696

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H34N4O2/c1-2-3-4-5-6-11-21(27)23-14-17-25-15-12-18(13-16-25)26-20-10-8-7-9-19(20)24-22(26)28/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyNZIDKBFZBCJNNI-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.44
Rot. Bonds10

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

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide (PubChem CID 25105696) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide
PubChem CID25105696
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H34N4O2/c1-2-3-4-5-6-11-21(27)23-14-17-25-15-12-18(13-16-25)26-20-10-8-7-9-19(20)24-22(26)28/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyNZIDKBFZBCJNNI-UHFFFAOYSA-N
XLogP3.44
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.44
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]octanamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide (CID 25105696) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide is CCCCCCCC(=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]octanamide?
The InChIKey is NZIDKBFZBCJNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-2-3-4-5-6-11-21(27)23-14-17-25-15-12-18(13-16-25)26-20-10-8-7-9-19(20)24-22(26)28/h7-10,18H,2-6,11-17H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]octanamide has a molecular weight of 386.54 g/mol, XLogP of 3.44, 10 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]octanamide is sourced from PubChem (CID 25105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).