4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide

C21H22N4O3 — CID 38202881

IUPAC4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(22-12-14-5-6-18-19(11-14)28-13-27-18)25-9-7-15(8-10-25)20-23-16-3-1-2-4-17(16)24-20/h1-6,11,15H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyIIDIQZWBEUSRFE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.38
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide

4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide (PubChem CID 38202881) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
PubChem CID38202881
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(22-12-14-5-6-18-19(11-14)28-13-27-18)25-9-7-15(8-10-25)20-23-16-3-1-2-4-17(16)24-20/h1-6,11,15H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyIIDIQZWBEUSRFE-UHFFFAOYSA-N
XLogP3.38
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-1-carboxamide
CID 112837954
(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
CID 51829666
4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833713
N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
N-(1,3-benzodioxol-5-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165135
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75437353
N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47849124
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
2-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3941194
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 25347930

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide (CID 38202881) is 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
The InChIKey is IIDIQZWBEUSRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(22-12-14-5-6-18-19(11-14)28-13-27-18)25-9-7-15(8-10-25)20-23-16-3-1-2-4-17(16)24-20/h1-6,11,15H,7-10,12-13H2,(H,22,26)(H,23,24).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide?
4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 38202881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).