2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide

C23H30ClN3O — CID 8591270

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c1-18-8-11-21(24)16-22(18)27-14-12-26(13-15-27)17-23(28)25-19(2)9-10-20-6-4-3-5-7-20/h3-8,11,16,19H,9-10,12-15,17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyYZCIIAANWZXZES-IBGZPJMESA-N
MW399.97 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 8591270) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID8591270
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c1-18-8-11-21(24)16-22(18)27-14-12-26(13-15-27)17-23(28)25-19(2)9-10-20-6-4-3-5-7-20/h3-8,11,16,19H,9-10,12-15,17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyYZCIIAANWZXZES-IBGZPJMESA-N
XLogP3.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22199281
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
N-[(2S)-4-phenylbutan-2-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288428
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 8591270) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H](C)CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is YZCIIAANWZXZES-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-18-8-11-21(24)16-22(18)27-14-12-26(13-15-27)17-23(28)25-19(2)9-10-20-6-4-3-5-7-20/h3-8,11,16,19H,9-10,12-15,17H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 399.97 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8591270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).