[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C19H24N4O2 — CID 91628389

IUPAC[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-13-3-2-4-18(22-13)25-15-7-9-23(10-8-15)19(24)14-5-6-16-17(11-14)21-12-20-16/h2-4,12,14-15H,5-11H2,1H3,(H,20,21)
InChIKeyFMRPODRVOHYIIR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.29
Rot. Bonds3

About [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 91628389) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID91628389
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-13-3-2-4-18(22-13)25-15-7-9-23(10-8-15)19(24)14-5-6-16-17(11-14)21-12-20-16/h2-4,12,14-15H,5-11H2,1H3,(H,20,21)
InChIKeyFMRPODRVOHYIIR-UHFFFAOYSA-N
XLogP2.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 100660021
4,5,6,7-tetrahydro-3H-benzimidazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 91628368
[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 100661710
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086
[4-(3-chlorophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90639970
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
cyclopropyl-[6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]methanone
CID 163058862
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
CID 22499501

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 91628389) is [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is Cc1cccc(OC2CCN(C(=O)C3CCc4nc[nH]c4C3)CC2)n1.
What is the InChIKey of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is FMRPODRVOHYIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-3-2-4-18(22-13)25-15-7-9-23(10-8-15)19(24)14-5-6-16-17(11-14)21-12-20-16/h2-4,12,14-15H,5-11H2,1H3,(H,20,21).
What are the key properties of [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 91628389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).