2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C20H33N3O — CID 29230660

IUPAC2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc([C@@H](NC(=O)CN2CCN(C)CC2)C(C)C)cc1
InChIInChI=1S/C20H33N3O/c1-15(2)17-6-8-18(9-7-17)20(16(3)4)21-19(24)14-23-12-10-22(5)11-13-23/h6-9,15-16,20H,10-14H2,1-5H3,(H,21,24)/t20-/m0/s1
InChIKeyCZKCUSXMJUXNJW-FQEVSTJZSA-N
MW331.50 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 29230660) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID29230660
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc([C@@H](NC(=O)CN2CCN(C)CC2)C(C)C)cc1
InChIInChI=1S/C20H33N3O/c1-15(2)17-6-8-18(9-7-17)20(16(3)4)21-19(24)14-23-12-10-22(5)11-13-23/h6-9,15-16,20H,10-14H2,1-5H3,(H,21,24)/t20-/m0/s1
InChIKeyCZKCUSXMJUXNJW-FQEVSTJZSA-N
XLogP2.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738634
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 92763021
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
CID 51929849
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475
N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8923687
ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889077
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667361

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 29230660) is 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc([C@@H](NC(=O)CN2CCN(C)CC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is CZKCUSXMJUXNJW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)17-6-8-18(9-7-17)20(16(3)4)21-19(24)14-23-12-10-22(5)11-13-23/h6-9,15-16,20H,10-14H2,1-5H3,(H,21,24)/t20-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 331.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 29230660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).