N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide

C16H22N4O — CID 126451275

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
SMILESCN1CCCC[C@@H]1CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H22N4O/c1-20-7-3-2-4-13(20)9-16(21)17-10-12-5-6-14-15(8-12)19-11-18-14/h5-6,8,11,13H,2-4,7,9-10H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyFFLLLFRSMCWUQH-CYBMUJFWSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide

N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide (PubChem CID 126451275) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
PubChem CID126451275
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
SMILESCN1CCCC[C@@H]1CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H22N4O/c1-20-7-3-2-4-13(20)9-16(21)17-10-12-5-6-14-15(8-12)19-11-18-14/h5-6,8,11,13H,2-4,7,9-10H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1
InChIKeyFFLLLFRSMCWUQH-CYBMUJFWSA-N
XLogP2.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide (CID 126451275) is N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide is CN1CCCC[C@@H]1CC(=O)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide?
The InChIKey is FFLLLFRSMCWUQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-7-3-2-4-13(20)9-16(21)17-10-12-5-6-14-15(8-12)19-11-18-14/h5-6,8,11,13H,2-4,7,9-10H2,1H3,(H,17,21)(H,18,19)/t13-/m1/s1.
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide?
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide is sourced from PubChem (CID 126451275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).