N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

C25H28Cl2N2O3 — CID 24682927

IUPACN-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H28Cl2N2O3/c1-16(2)14-22(28-24(31)20-9-8-19(26)15-21(20)27)25(32)29-12-10-18(11-13-29)23(30)17-6-4-3-5-7-17/h3-9,15-16,18,22H,10-14H2,1-2H3,(H,28,31)
InChIKeyYWRAMFVUWARIOY-UHFFFAOYSA-N
MW475.42 g/mol
LogP5.26
Rot. Bonds7

About N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide

N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (PubChem CID 24682927) has the molecular formula C25H28Cl2N2O3 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
PubChem CID24682927
Molecular FormulaC25H28Cl2N2O3
Molecular Weight475.42 g/mol
Exact Mass474.15
IUPAC NameN-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H28Cl2N2O3/c1-16(2)14-22(28-24(31)20-9-8-19(26)15-21(20)27)25(32)29-12-10-18(11-13-29)23(30)17-6-4-3-5-7-17/h3-9,15-16,18,22H,10-14H2,1-2H3,(H,28,31)
InChIKeyYWRAMFVUWARIOY-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide with MolForge

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Related Compounds

4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 112800513
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134055780
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide
CID 42910019
2,4-dichloro-N-[4-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 43051412
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide (CID 24682927) is N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is YWRAMFVUWARIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N2O3/c1-16(2)14-22(28-24(31)20-9-8-19(26)15-21(20)27)25(32)29-12-10-18(11-13-29)23(30)17-6-4-3-5-7-17/h3-9,15-16,18,22H,10-14H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide?
N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 475.42 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 24682927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).