2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C21H22N4O3 — CID 653489

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N4O3/c26-20(22-15-5-6-18-19(11-15)28-13-27-18)12-25-9-7-14(8-10-25)21-23-16-3-1-2-4-17(16)24-21/h1-6,11,14H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyMKZQIAGKNSNOME-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.11
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 653489) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID653489
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H22N4O3/c26-20(22-15-5-6-18-19(11-15)28-13-27-18)12-25-9-7-14(8-10-25)21-23-16-3-1-2-4-17(16)24-21/h1-6,11,14H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyMKZQIAGKNSNOME-UHFFFAOYSA-N
XLogP3.11
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 653489) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is MKZQIAGKNSNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(22-15-5-6-18-19(11-15)28-13-27-18)12-25-9-7-14(8-10-25)21-23-16-3-1-2-4-17(16)24-21/h1-6,11,14H,7-10,12-13H2,(H,22,26)(H,23,24).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 653489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).