[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C24H35N5O — CID 46358885

IUPAC[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc2nc(N3CCC(C(=O)N4CCC(N5CCCCC5)CC4)CC3)[nH]c2c1
InChIInChI=1S/C24H35N5O/c1-18-5-6-21-22(17-18)26-24(25-21)29-13-7-19(8-14-29)23(30)28-15-9-20(10-16-28)27-11-3-2-4-12-27/h5-6,17,19-20H,2-4,7-16H2,1H3,(H,25,26)
InChIKeyINWPMDRVHHNHIY-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.56
Rot. Bonds3

About [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46358885) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID46358885
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1ccc2nc(N3CCC(C(=O)N4CCC(N5CCCCC5)CC4)CC3)[nH]c2c1
InChIInChI=1S/C24H35N5O/c1-18-5-6-21-22(17-18)26-24(25-21)29-13-7-19(8-14-29)23(30)28-15-9-20(10-16-28)27-11-3-2-4-12-27/h5-6,17,19-20H,2-4,7-16H2,1H3,(H,25,26)
InChIKeyINWPMDRVHHNHIY-UHFFFAOYSA-N
XLogP3.56
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
[1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 67099208
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 82563531
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029425

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 46358885) is [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1ccc2nc(N3CCC(C(=O)N4CCC(N5CCCCC5)CC4)CC3)[nH]c2c1.
What is the InChIKey of [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is INWPMDRVHHNHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-18-5-6-21-22(17-18)26-24(25-21)29-13-7-19(8-14-29)23(30)28-15-9-20(10-16-28)27-11-3-2-4-12-27/h5-6,17,19-20H,2-4,7-16H2,1H3,(H,25,26).
What are the key properties of [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 409.58 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46358885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).