N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide

C24H26ClN3O2 — CID 68847647

IUPACN-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O2/c1-17(18(2)27-22(29)19-6-4-3-5-7-19)23(30)28-14-12-24(16-26,13-15-28)20-8-10-21(25)11-9-20/h3-11,17-18H,12-15H2,1-2H3,(H,27,29)
InChIKeyPPOBBFZJRKHBPW-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.18
Rot. Bonds5

About N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide

N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide (PubChem CID 68847647) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
PubChem CID68847647
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O2/c1-17(18(2)27-22(29)19-6-4-3-5-7-19)23(30)28-14-12-24(16-26,13-15-28)20-8-10-21(25)11-9-20/h3-11,17-18H,12-15H2,1-2H3,(H,27,29)
InChIKeyPPOBBFZJRKHBPW-UHFFFAOYSA-N
XLogP4.18
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68849773
3-(benzoylsulfamoyl)-N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68848592
3-acetyl-N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68848676
methyl 1-(2-benzamido-3-methylbutanoyl)-4-(4-chlorophenyl)piperidine-4-carboxylate
CID 67300060
N-[4-[4-(4-bromophenyl)piperazin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 69293076
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3-methylidenepiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 89146016
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]-3-[[2-(dimethylamino)acetyl]amino]benzamide
CID 68851663
[3-[[4-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamoyl]phenyl]boronic acid
CID 68850355
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
N-[4-(1-cyanocyclopentyl)phenyl]benzamide
CID 766970
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide (CID 68847647) is N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
The InChIKey is PPOBBFZJRKHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-17(18(2)27-22(29)19-6-4-3-5-7-19)23(30)28-14-12-24(16-26,13-15-28)20-8-10-21(25)11-9-20/h3-11,17-18H,12-15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide?
N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide has a molecular weight of 423.94 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 68847647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).