2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C17H25ClN4O2 — CID 119442893

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)N(C)C2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-20-14-6-4-5-7-15(14)21(17(20)23)12-16(22)19(2)13-8-10-18-11-9-13;/h4-7,13,18H,3,8-12H2,1-2H3;1H
InChIKeyRSYVLAJRRGBETK-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.46
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442893) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442893
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCCn1c(=O)n(CC(=O)N(C)C2CCNCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-3-20-14-6-4-5-7-15(14)21(17(20)23)12-16(22)19(2)13-8-10-18-11-9-13;/h4-7,13,18H,3,8-12H2,1-2H3;1H
InChIKeyRSYVLAJRRGBETK-UHFFFAOYSA-N
XLogP1.46
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
N-(3-amino-2,2-dimethylpropyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide;hydrochloride
CID 119654789
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
N-cyclopropyl-2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
CID 63810760
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 78837683
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119442893) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CCn1c(=O)n(CC(=O)N(C)C2CCNCC2)c2ccccc21.Cl.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is RSYVLAJRRGBETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-3-20-14-6-4-5-7-15(14)21(17(20)23)12-16(22)19(2)13-8-10-18-11-9-13;/h4-7,13,18H,3,8-12H2,1-2H3;1H.
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).