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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Related Compounds

2-ethyl-1-[(3R)-1-[(5-methoxy-1H-1,3-benzodiazol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776358
8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione
CID 122508414
3-phenyl-8-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 25071621
2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 45488686
2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 11220975
2-((5,6-dimethoxy-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
CID 44407769
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 67266280
1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709926
7-benzyl-3-cyclopropyl-8-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)purine-2,6-dione
CID 122505994
7-benzyl-8-({4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}methyl)-3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CID 134262442
2-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136041750
N-Benzo[1,3]dioxol-5-yl-2-{1-[2-(2,6-dimethyl-piperidin-1-yl)-2-oxo-ethyl]-1H-benzoimidazol-2-ylsulfanyl}-acetamide
CID 655630

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).