3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

C18H19N5O3 — CID 122261199

IUPAC3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C18H19N5O3/c1-25-18-19-7-6-16(22-18)26-13-3-2-8-23(10-13)17(24)12-4-5-14-15(9-12)21-11-20-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyAQAUQZPACBVXOP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.05
Rot. Bonds4

About 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone

3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122261199) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122261199
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C18H19N5O3/c1-25-18-19-7-6-16(22-18)26-13-3-2-8-23(10-13)17(24)12-4-5-14-15(9-12)21-11-20-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,20,21)
InChIKeyAQAUQZPACBVXOP-UHFFFAOYSA-N
XLogP2.05
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122261521
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122261504
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122261199) is 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1.
What is the InChIKey of 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is AQAUQZPACBVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-18-19-7-6-16(22-18)26-13-3-2-8-23(10-13)17(24)12-4-5-14-15(9-12)21-11-20-14/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 353.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122261199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).