N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C21H28N4O — CID 17450770

IUPACN-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-16(2)18-7-9-19(10-8-18)23-21(26)17(3)24-12-14-25(15-13-24)20-6-4-5-11-22-20/h4-11,16-17H,12-15H2,1-3H3,(H,23,26)
InChIKeyAQCHEDGHFIWDQY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.35
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 17450770) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID17450770
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)c1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-16(2)18-7-9-19(10-8-18)23-21(26)17(3)24-12-14-25(15-13-24)20-6-4-5-11-22-20/h4-11,16-17H,12-15H2,1-3H3,(H,23,26)
InChIKeyAQCHEDGHFIWDQY-UHFFFAOYSA-N
XLogP3.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 31455885
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 17450770) is N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C)c1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is AQCHEDGHFIWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)18-7-9-19(10-8-18)23-21(26)17(3)24-12-14-25(15-13-24)20-6-4-5-11-22-20/h4-11,16-17H,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 17450770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).