[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone

C24H33BrN4O — CID 143495345

IUPAC[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone
SMILESCN1C=CC(CN2CCC(C(=O)N3CCN(Cc4ccccc4Br)CC3)CC2)=CC1
InChIInChI=1S/C24H33BrN4O/c1-26-10-6-20(7-11-26)18-27-12-8-21(9-13-27)24(30)29-16-14-28(15-17-29)19-22-4-2-3-5-23(22)25/h2-7,10,21H,8-9,11-19H2,1H3
InChIKeyFPYKSBSWOCZPJJ-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.19
Rot. Bonds5

About [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 143495345) has the molecular formula C24H33BrN4O and a molecular weight of 473.46 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID143495345
Molecular FormulaC24H33BrN4O
Molecular Weight473.46 g/mol
Exact Mass472.18
IUPAC Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone
SMILESCN1C=CC(CN2CCC(C(=O)N3CCN(Cc4ccccc4Br)CC3)CC2)=CC1
InChIInChI=1S/C24H33BrN4O/c1-26-10-6-20(7-11-26)18-27-12-8-21(9-13-27)24(30)29-16-14-28(15-17-29)19-22-4-2-3-5-23(22)25/h2-7,10,21H,8-9,11-19H2,1H3
InChIKeyFPYKSBSWOCZPJJ-UHFFFAOYSA-N
XLogP3.19
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 20754535
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(2-bromophenyl)methyl]piperazin-1-yl]methanone
CID 19333624
[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]-[4-[[3-(4-propan-2-ylphenoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 143495315
[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]-[4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazin-1-yl]methanone
CID 143495844
ethane;[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]-[4-[[3-(4-propan-2-ylphenoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 143495314
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 19333622
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone (CID 143495345) is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone is CN1C=CC(CN2CCC(C(=O)N3CCN(Cc4ccccc4Br)CC3)CC2)=CC1.
What is the InChIKey of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is FPYKSBSWOCZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN4O/c1-26-10-6-20(7-11-26)18-27-12-8-21(9-13-27)24(30)29-16-14-28(15-17-29)19-22-4-2-3-5-23(22)25/h2-7,10,21H,8-9,11-19H2,1H3.
What are the key properties of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone?
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 473.46 g/mol, XLogP of 3.19, 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]piperazin-1-yl]-[1-[(1-methyl-2H-pyridin-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 143495345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).