(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one

C17H23N3O2 — CID 177304355

IUPAC(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one
SMILESCC(C)n1cnc2cc(OC[C@@H]3CC(=O)C[C@H](C)N3)ccc21
InChIInChI=1S/C17H23N3O2/c1-11(2)20-10-18-16-8-15(4-5-17(16)20)22-9-13-7-14(21)6-12(3)19-13/h4-5,8,10-13,19H,6-7,9H2,1-3H3/t12-,13-/m0/s1
InChIKeyJGBCAWFRQCJXKX-STQMWFEESA-N
MW301.39 g/mol
LogP2.71
Rot. Bonds4

About (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one

(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one (PubChem CID 177304355) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one
PubChem CID177304355
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one
SMILESCC(C)n1cnc2cc(OC[C@@H]3CC(=O)C[C@H](C)N3)ccc21
InChIInChI=1S/C17H23N3O2/c1-11(2)20-10-18-16-8-15(4-5-17(16)20)22-9-13-7-14(21)6-12(3)19-13/h4-5,8,10-13,19H,6-7,9H2,1-3H3/t12-,13-/m0/s1
InChIKeyJGBCAWFRQCJXKX-STQMWFEESA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one with MolForge

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Related Compounds

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5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509
5-Substituted 1-Phenylbenzimidazole 20
CID 5328510
5-Substituted 1-Phenylbenzimidazole 21
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4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one?
The IUPAC name of (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one (CID 177304355) is (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one.
What is the SMILES notation for (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one?
The canonical SMILES for (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one is CC(C)n1cnc2cc(OC[C@@H]3CC(=O)C[C@H](C)N3)ccc21.
What is the InChIKey of (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one?
The InChIKey is JGBCAWFRQCJXKX-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)20-10-18-16-8-15(4-5-17(16)20)22-9-13-7-14(21)6-12(3)19-13/h4-5,8,10-13,19H,6-7,9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one?
(2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]piperidin-4-one is sourced from PubChem (CID 177304355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).