N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C19H25N5O — CID 24588722

IUPACN-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-16(17-6-3-2-4-7-17)22-18(25)8-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25)
InChIKeyPJSSTAZJEREBND-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.87
Rot. Bonds6

About N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 24588722) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID24588722
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCN(c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-16(17-6-3-2-4-7-17)22-18(25)8-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25)
InChIKeyPJSSTAZJEREBND-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 91833416
1-ethyl-3-(1-phenylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110950121
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030534
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 24588722) is N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(NC(=O)CCN1CCN(c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is PJSSTAZJEREBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16(17-6-3-2-4-7-17)22-18(25)8-11-23-12-14-24(15-13-23)19-20-9-5-10-21-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25).
What are the key properties of N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 24588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).