[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C24H27Cl2N3O2 — CID 55633559

IUPAC[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)c1
InChIInChI=1S/C24H27Cl2N3O2/c1-17-4-2-6-20(14-17)27-10-12-28(13-11-27)24(31)19-5-3-9-29(16-19)23(30)18-7-8-21(25)22(26)15-18/h2,4,6-8,14-15,19H,3,5,9-13,16H2,1H3
InChIKeyXQGDURYSFHYDJW-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.50
Rot. Bonds3

About [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 55633559) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID55633559
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)c1
InChIInChI=1S/C24H27Cl2N3O2/c1-17-4-2-6-20(14-17)27-10-12-28(13-11-27)24(31)19-5-3-9-29(16-19)23(30)18-7-8-21(25)22(26)15-18/h2,4,6-8,14-15,19H,3,5,9-13,16H2,1H3
InChIKeyXQGDURYSFHYDJW-UHFFFAOYSA-N
XLogP4.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
4-[4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720933
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
tert-butyl 4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 55634686
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 55794212
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 55633559) is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)c1.
What is the InChIKey of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XQGDURYSFHYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-17-4-2-6-20(14-17)27-10-12-28(13-11-27)24(31)19-5-3-9-29(16-19)23(30)18-7-8-21(25)22(26)15-18/h2,4,6-8,14-15,19H,3,5,9-13,16H2,1H3.
What are the key properties of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 460.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55633559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).