[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone

C23H25Cl2N3O3S — CID 55976108

IUPAC[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)s1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15-4-7-20(32-15)23(31)27-11-9-26(10-12-27)22(30)17-3-2-8-28(14-17)21(29)16-5-6-18(24)19(25)13-16/h4-7,13,17H,2-3,8-12,14H2,1H3
InChIKeyYHLWWPSLGKSEPC-UHFFFAOYSA-N
MW494.44 g/mol
LogP4.20
Rot. Bonds3

About [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone

[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 55976108) has the molecular formula C23H25Cl2N3O3S and a molecular weight of 494.44 g/mol. Its IUPAC name is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID55976108
Molecular FormulaC23H25Cl2N3O3S
Molecular Weight494.44 g/mol
Exact Mass493.10
IUPAC Name[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)s1
InChIInChI=1S/C23H25Cl2N3O3S/c1-15-4-7-20(32-15)23(31)27-11-9-26(10-12-27)22(30)17-3-2-8-28(14-17)21(29)16-5-6-18(24)19(25)13-16/h4-7,13,17H,2-3,8-12,14H2,1H3
InChIKeyYHLWWPSLGKSEPC-UHFFFAOYSA-N
XLogP4.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)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
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
tert-butyl 4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 55634686
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55633559
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
4-[4-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720933
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 53150030
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119745421

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone (CID 55976108) is [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)CC2)s1.
What is the InChIKey of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YHLWWPSLGKSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3S/c1-15-4-7-20(32-15)23(31)27-11-9-26(10-12-27)22(30)17-3-2-8-28(14-17)21(29)16-5-6-18(24)19(25)13-16/h4-7,13,17H,2-3,8-12,14H2,1H3.
What are the key properties of [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone?
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 494.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55976108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).