N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

C22H28ClN3O — CID 8530293

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O/c1-3-17(2)20-9-4-5-10-21(20)24-22(27)16-25-11-13-26(14-12-25)19-8-6-7-18(23)15-19/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyWOHVJGQEFAJUMC-KRWDZBQOSA-N
MW385.94 g/mol
LogP4.61
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 8530293) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID8530293
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClN3O/c1-3-17(2)20-9-4-5-10-21(20)24-22(27)16-25-11-13-26(14-12-25)19-8-6-7-18(23)15-19/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeyWOHVJGQEFAJUMC-KRWDZBQOSA-N
XLogP4.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548080
N-(2-butan-2-ylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531813
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529789
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanamide
CID 8529804
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
ethyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530322
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2654914

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 8530293) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is WOHVJGQEFAJUMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-3-17(2)20-9-4-5-10-21(20)24-22(27)16-25-11-13-26(14-12-25)19-8-6-7-18(23)15-19/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,27)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 385.94 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8530293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).