N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide

C23H30ClN3O — CID 109029785

IUPACN-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H30ClN3O/c1-23(2,3)20-9-4-5-10-21(20)25-22(28)11-12-26-13-15-27(16-14-26)19-8-6-7-18(24)17-19/h4-10,17H,11-16H2,1-3H3,(H,25,28)
InChIKeyLJXBGRABDVSVMP-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.79
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide

N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide (PubChem CID 109029785) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
PubChem CID109029785
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC NameN-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H30ClN3O/c1-23(2,3)20-9-4-5-10-21(20)25-22(28)11-12-26-13-15-27(16-14-26)19-8-6-7-18(24)17-19/h4-10,17H,11-16H2,1-3H3,(H,25,28)
InChIKeyLJXBGRABDVSVMP-UHFFFAOYSA-N
XLogP4.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030534
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 15989718
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 167807980
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide (CID 109029785) is N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide is CC(C)(C)c1ccccc1NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The InChIKey is LJXBGRABDVSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-23(2,3)20-9-4-5-10-21(20)25-22(28)11-12-26-13-15-27(16-14-26)19-8-6-7-18(24)17-19/h4-10,17H,11-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide has a molecular weight of 399.97 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).