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

C20H27Cl2N3O2 — CID 60589629

IUPAC[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C20H27Cl2N3O2/c1-23(2)16-7-10-24(11-8-16)20(27)15-4-3-9-25(13-15)19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3
InChIKeyORUOUJCSTLFUHX-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.40
Rot. Bonds3

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

[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 60589629) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID60589629
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C20H27Cl2N3O2/c1-23(2)16-7-10-24(11-8-16)20(27)15-4-3-9-25(13-15)19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3
InChIKeyORUOUJCSTLFUHX-UHFFFAOYSA-N
XLogP3.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-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
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-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55633559
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 56510249
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
4-[4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720933

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 60589629) is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is ORUOUJCSTLFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c1-23(2)16-7-10-24(11-8-16)20(27)15-4-3-9-25(13-15)19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3.
What are the key properties of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 412.36 g/mol, XLogP of 3.40, 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-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60589629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).