4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide

C24H30ClN3O2 — CID 9152960

IUPAC4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-17(2)16-21(26-23(29)19-8-10-20(25)11-9-19)24(30)28-14-12-27(13-15-28)22-7-5-4-6-18(22)3/h4-11,17,21H,12-16H2,1-3H3,(H,26,29)/t21-/m1/s1
InChIKeyHBUODRGFSOKAQA-OAQYLSRUSA-N
MW427.98 g/mol
LogP4.14
Rot. Bonds6

About 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide (PubChem CID 9152960) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
PubChem CID9152960
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-17(2)16-21(26-23(29)19-8-10-20(25)11-9-19)24(30)28-14-12-27(13-15-28)22-7-5-4-6-18(22)3/h4-11,17,21H,12-16H2,1-3H3,(H,26,29)/t21-/m1/s1
InChIKeyHBUODRGFSOKAQA-OAQYLSRUSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
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4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
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N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
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4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide (CID 9152960) is 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide is Cc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide?
The InChIKey is HBUODRGFSOKAQA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17(2)16-21(26-23(29)19-8-10-20(25)11-9-19)24(30)28-14-12-27(13-15-28)22-7-5-4-6-18(22)3/h4-11,17,21H,12-16H2,1-3H3,(H,26,29)/t21-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide has a molecular weight of 427.98 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 9152960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).