2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine

C20H20N4O2 — CID 141079478

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine
SMILESc1ccc(-c2[nH]c(C3CCCNC3)nc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C20H20N4O2/c1-2-9-22-15(5-1)19-18(13-6-7-16-17(10-13)26-12-25-16)23-20(24-19)14-4-3-8-21-11-14/h1-2,5-7,9-10,14,21H,3-4,8,11-12H2,(H,23,24)
InChIKeyQNHDAPWIOJWTNP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.33
Rot. Bonds3

About 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine

2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine (PubChem CID 141079478) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine
PubChem CID141079478
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine
SMILESc1ccc(-c2[nH]c(C3CCCNC3)nc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C20H20N4O2/c1-2-9-22-15(5-1)19-18(13-6-7-16-17(10-13)26-12-25-16)23-20(24-19)14-4-3-8-21-11-14/h1-2,5-7,9-10,14,21H,3-4,8,11-12H2,(H,23,24)
InChIKeyQNHDAPWIOJWTNP-UHFFFAOYSA-N
XLogP3.33
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-2-[1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-yl]-1H-imidazol-5-yl]pyridine
CID 10415078
2-[4-(1,3-benzodioxol-5-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-4-yl]-1H-imidazol-5-yl]pyridine
CID 69346307
ethyl 2-[[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 11583706
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
3-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 142779159
2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 118251196
2-[4-(1,3-benzodioxol-5-yl)-1H-imidazol-5-yl]-6-cyclopropylpyridine
CID 141079495
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
4-[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazol-2-yl]methyl]benzonitrile
CID 142669585
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597
[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
CID 10028961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine (CID 141079478) is 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine is c1ccc(-c2[nH]c(C3CCCNC3)nc2-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine?
The InChIKey is QNHDAPWIOJWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-9-22-15(5-1)19-18(13-6-7-16-17(10-13)26-12-25-16)23-20(24-19)14-4-3-8-21-11-14/h1-2,5-7,9-10,14,21H,3-4,8,11-12H2,(H,23,24).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine?
2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine has a molecular weight of 348.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-piperidin-3-yl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 141079478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).