3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

C22H29N3O — CID 109027170

IUPAC3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18(2)20-10-6-7-11-21(20)23-22(26)12-13-24-14-16-25(17-15-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)
InChIKeyKTXLNWLXXLPYSF-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109027170) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109027170
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-18(2)20-10-6-7-11-21(20)23-22(26)12-13-24-14-16-25(17-15-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,23,26)
InChIKeyKTXLNWLXXLPYSF-UHFFFAOYSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
triphenyl-[[2-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]methyl]phosphanium
CID 86753179
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 109027170) is 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is KTXLNWLXXLPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(2)20-10-6-7-11-21(20)23-22(26)12-13-24-14-16-25(17-15-24)19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).