3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one

C19H26N4O2 — CID 131962405

IUPAC3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CCC3(CNC3)O2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-21-16-3-1-2-4-17(16)23(18)14-6-9-22(10-7-14)11-15-5-8-19(25-15)12-20-13-19/h1-4,14-15,20H,5-13H2,(H,21,24)
InChIKeyLAGYVLWJEHBFJO-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.49
Rot. Bonds3

About 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 131962405) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID131962405
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC2CCC3(CNC3)O2)CC1
InChIInChI=1S/C19H26N4O2/c24-18-21-16-3-1-2-4-17(16)23(18)14-6-9-22(10-7-14)11-15-5-8-19(25-15)12-20-13-19/h1-4,14-15,20H,5-13H2,(H,21,24)
InChIKeyLAGYVLWJEHBFJO-UHFFFAOYSA-N
XLogP1.49
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968436
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 13151545
1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
CID 172967768
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968406
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-(oxolan-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968472
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 131962405) is 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC2CCC3(CNC3)O2)CC1.
What is the InChIKey of 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is LAGYVLWJEHBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18-21-16-3-1-2-4-17(16)23(18)14-6-9-22(10-7-14)11-15-5-8-19(25-15)12-20-13-19/h1-4,14-15,20H,5-13H2,(H,21,24).
What are the key properties of 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 131962405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).