[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

C22H23N3O3 — CID 23831631

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H23N3O3/c1-15-10-12-25(13-11-15)20(26)14-28-22(27)17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24-21/h2-9,15H,10-14H2,1H3,(H,23,24)
InChIKeyDCFZCIYFNWTAFY-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.65
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (PubChem CID 23831631) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
PubChem CID23831631
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H23N3O3/c1-15-10-12-25(13-11-15)20(26)14-28-22(27)17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24-21/h2-9,15H,10-14H2,1H3,(H,23,24)
InChIKeyDCFZCIYFNWTAFY-UHFFFAOYSA-N
XLogP3.65
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23887568
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2537005
2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
CID 126837271
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (CID 23831631) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is CC1CCN(C(=O)COC(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
The InChIKey is DCFZCIYFNWTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-10-12-25(13-11-15)20(26)14-28-22(27)17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24-21/h2-9,15H,10-14H2,1H3,(H,23,24).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 377.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 23831631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).