[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

C25H31N5O — CID 20882966

IUPAC[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(c4nc5ccccc5[nH]4)C3)CC2C)c1
InChIInChI=1S/C25H31N5O/c1-18-7-5-9-21(15-18)30-14-13-28(16-19(30)2)24(31)20-8-6-12-29(17-20)25-26-22-10-3-4-11-23(22)27-25/h3-5,7,9-11,15,19-20H,6,8,12-14,16-17H2,1-2H3,(H,26,27)
InChIKeyAWMFUDAQVSLFDF-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.83
Rot. Bonds3

About [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 20882966) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID20882966
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(c4nc5ccccc5[nH]4)C3)CC2C)c1
InChIInChI=1S/C25H31N5O/c1-18-7-5-9-21(15-18)30-14-13-28(16-19(30)2)24(31)20-8-6-12-29(17-20)25-26-22-10-3-4-11-23(22)27-25/h3-5,7,9-11,15,19-20H,6,8,12-14,16-17H2,1-2H3,(H,26,27)
InChIKeyAWMFUDAQVSLFDF-UHFFFAOYSA-N
XLogP3.83
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
1-(1H-benzimidazol-2-yl)-N-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 92876483
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
1-methyl-3-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30442443
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone (CID 20882966) is [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCCN(c4nc5ccccc5[nH]4)C3)CC2C)c1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is AWMFUDAQVSLFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-18-7-5-9-21(15-18)30-14-13-28(16-19(30)2)24(31)20-8-6-12-29(17-20)25-26-22-10-3-4-11-23(22)27-25/h3-5,7,9-11,15,19-20H,6,8,12-14,16-17H2,1-2H3,(H,26,27).
What are the key properties of [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone?
[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 417.56 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20882966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).