[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone

C22H22N4O — CID 95861103

IUPAC[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cccc21
InChIInChI=1S/C22H22N4O/c1-25-13-11-16-17(7-4-10-20(16)25)22(27)26-12-5-6-15(14-26)21-23-18-8-2-3-9-19(18)24-21/h2-4,7-11,13,15H,5-6,12,14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyJJLMCFBBFZCTLY-OAHLLOKOSA-N
MW358.44 g/mol
LogP4.07
Rot. Bonds2

About [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone (PubChem CID 95861103) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
PubChem CID95861103
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
SMILESCn1ccc2c(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cccc21
InChIInChI=1S/C22H22N4O/c1-25-13-11-16-17(7-4-10-20(16)25)22(27)26-12-5-6-15(14-26)21-23-18-8-2-3-9-19(18)24-21/h2-4,7-11,13,15H,5-6,12,14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyJJLMCFBBFZCTLY-OAHLLOKOSA-N
XLogP4.07
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 75490249
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 24599736
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 28667761
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
(1-methylindol-4-yl)-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 136561531
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The IUPAC name of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone (CID 95861103) is [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone is Cn1ccc2c(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cccc21.
What is the InChIKey of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone?
The InChIKey is JJLMCFBBFZCTLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25-13-11-16-17(7-4-10-20(16)25)22(27)26-12-5-6-15(14-26)21-23-18-8-2-3-9-19(18)24-21/h2-4,7-11,13,15H,5-6,12,14H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone?
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 95861103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).