N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide

C17H24N4O2 — CID 86287334

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCc1cc2nc(CNC(=O)CN3CCCC(O)C3)[nH]c2cc1C
InChIInChI=1S/C17H24N4O2/c1-11-6-14-15(7-12(11)2)20-16(19-14)8-18-17(23)10-21-5-3-4-13(22)9-21/h6-7,13,22H,3-5,8-10H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyXIWAMVMUOLPEJV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.25
Rot. Bonds4

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 86287334) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID86287334
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESCc1cc2nc(CNC(=O)CN3CCCC(O)C3)[nH]c2cc1C
InChIInChI=1S/C17H24N4O2/c1-11-6-14-15(7-12(11)2)20-16(19-14)8-18-17(23)10-21-5-3-4-13(22)9-21/h6-7,13,22H,3-5,8-10H2,1-2H3,(H,18,23)(H,19,20)
InChIKeyXIWAMVMUOLPEJV-UHFFFAOYSA-N
XLogP1.25
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118787936
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118788473
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897538
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 122564730

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide (CID 86287334) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide is Cc1cc2nc(CNC(=O)CN3CCCC(O)C3)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is XIWAMVMUOLPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-6-14-15(7-12(11)2)20-16(19-14)8-18-17(23)10-21-5-3-4-13(22)9-21/h6-7,13,22H,3-5,8-10H2,1-2H3,(H,18,23)(H,19,20).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 86287334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).