[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C20H28N4O — CID 20882839

IUPAC[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C20H28N4O/c1-14-11-15(2)13-24(12-14)19(25)16-7-9-23(10-8-16)20-21-17-5-3-4-6-18(17)22-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,22)
InChIKeySMBWZASJPCGKPC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.28
Rot. Bonds2

About [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 20882839) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID20882839
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)C1
InChIInChI=1S/C20H28N4O/c1-14-11-15(2)13-24(12-14)19(25)16-7-9-23(10-8-16)20-21-17-5-3-4-6-18(17)22-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,22)
InChIKeySMBWZASJPCGKPC-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 20882966
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
CID 122176159

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 20882839) is [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)C1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is SMBWZASJPCGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-11-15(2)13-24(12-14)19(25)16-7-9-23(10-8-16)20-21-17-5-3-4-6-18(17)22-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,22).
What are the key properties of [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 340.47 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 20882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).