N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide

C24H28N4O3 — CID 108553251

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1C
InChIInChI=1S/C24H28N4O3/c1-15-4-5-16(2)23(17(15)3)31-13-22(29)27-19-8-10-28(11-9-19)24(30)18-6-7-20-21(12-18)26-14-25-20/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyOZNBBHXNYNKFPG-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108553251) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108553251
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1C
InChIInChI=1S/C24H28N4O3/c1-15-4-5-16(2)23(17(15)3)31-13-22(29)27-19-8-10-28(11-9-19)24(30)18-6-7-20-21(12-18)26-14-25-20/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyOZNBBHXNYNKFPG-UHFFFAOYSA-N
XLogP3.29
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 108552749
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553287
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
tert-butyl N-[3-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548264
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108553251) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1C.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is OZNBBHXNYNKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-4-5-16(2)23(17(15)3)31-13-22(29)27-19-8-10-28(11-9-19)24(30)18-6-7-20-21(12-18)26-14-25-20/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,25,26)(H,27,29).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).