[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

C25H33BrN4O — CID 20754525

IUPAC[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(Cc3ccncc3)CC2)C(C)CN1Cc1ccccc1Br
InChIInChI=1S/C25H33BrN4O/c1-19-16-30(20(2)15-29(19)18-23-5-3-4-6-24(23)26)25(31)22-9-13-28(14-10-22)17-21-7-11-27-12-8-21/h3-8,11-12,19-20,22H,9-10,13-18H2,1-2H3
InChIKeyCJPKCBQBZFRCSH-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.18
Rot. Bonds5

About [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (PubChem CID 20754525) has the molecular formula C25H33BrN4O and a molecular weight of 485.47 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
PubChem CID20754525
Molecular FormulaC25H33BrN4O
Molecular Weight485.47 g/mol
Exact Mass484.18
IUPAC Name[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCC1CN(C(=O)C2CCN(Cc3ccncc3)CC2)C(C)CN1Cc1ccccc1Br
InChIInChI=1S/C25H33BrN4O/c1-19-16-30(20(2)15-29(19)18-23-5-3-4-6-24(23)26)25(31)22-9-13-28(14-10-22)17-21-7-11-27-12-8-21/h3-8,11-12,19-20,22H,9-10,13-18H2,1-2H3
InChIKeyCJPKCBQBZFRCSH-UHFFFAOYSA-N
XLogP4.18
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylpiperazine;[(3S)-4-[(2-bromophenyl)methyl]-3-methylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone;ethane;1-(pyridin-4-ylmethyl)piperidine-4-carbaldehyde
CID 143495373
[4-[(2-bromophenyl)methyl]-1,2,4-triazinan-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 143495922
(1-benzylpiperidin-4-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665196
(1-benzylpiperidin-4-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665195
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
1-[(2-bromophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371953

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone (CID 20754525) is [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is CC1CN(C(=O)C2CCN(Cc3ccncc3)CC2)C(C)CN1Cc1ccccc1Br.
What is the InChIKey of [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is CJPKCBQBZFRCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33BrN4O/c1-19-16-30(20(2)15-29(19)18-23-5-3-4-6-24(23)26)25(31)22-9-13-28(14-10-22)17-21-7-11-27-12-8-21/h3-8,11-12,19-20,22H,9-10,13-18H2,1-2H3.
What are the key properties of [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone?
[4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 485.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 20754525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).