5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide

C21H28Cl2N2O3 — CID 56520872

IUPAC5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H28Cl2N2O3/c1-3-24(4-2)19(26)6-5-7-20(27)25-12-10-15(11-13-25)21(28)16-8-9-17(22)18(23)14-16/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyGQHVQFCLECEYHP-UHFFFAOYSA-N
MW427.37 g/mol
LogP4.45
Rot. Bonds8

About 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide

5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide (PubChem CID 56520872) has the molecular formula C21H28Cl2N2O3 and a molecular weight of 427.37 g/mol. Its IUPAC name is 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
PubChem CID56520872
Molecular FormulaC21H28Cl2N2O3
Molecular Weight427.37 g/mol
Exact Mass426.15
IUPAC Name5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
SMILESCCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H28Cl2N2O3/c1-3-24(4-2)19(26)6-5-7-20(27)25-12-10-15(11-13-25)21(28)16-8-9-17(22)18(23)14-16/h8-9,14-15H,3-7,10-13H2,1-2H3
InChIKeyGQHVQFCLECEYHP-UHFFFAOYSA-N
XLogP4.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56567769
3-(1,3-benzodioxol-5-yl)-1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]propan-1-one
CID 55956130
1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 55956642
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 119355055
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
3-[3-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 55955876
(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
CID 97239174
3-[2-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 55955874
4-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]butan-1-one
CID 134055781
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide?
The IUPAC name of 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide (CID 56520872) is 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide.
What is the SMILES notation for 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide?
The canonical SMILES for 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide is CCN(CC)C(=O)CCCC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide?
The InChIKey is GQHVQFCLECEYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N2O3/c1-3-24(4-2)19(26)6-5-7-20(27)25-12-10-15(11-13-25)21(28)16-8-9-17(22)18(23)14-16/h8-9,14-15H,3-7,10-13H2,1-2H3.
What are the key properties of 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide?
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide has a molecular weight of 427.37 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide is sourced from PubChem (CID 56520872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).