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

C20H27N5O — CID 119527517

IUPACN-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESNC(CNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c21-18(17-6-2-1-3-7-17)16-23-20(26)9-11-24-12-14-25(15-13-24)19-8-4-5-10-22-19/h1-8,10,18H,9,11-16,21H2,(H,23,26)
InChIKeyBPUUCNXPVSELQR-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.41
Rot. Bonds7

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

N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 119527517) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID119527517
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESNC(CNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N5O/c21-18(17-6-2-1-3-7-17)16-23-20(26)9-11-24-12-14-25(15-13-24)19-8-4-5-10-22-19/h1-8,10,18H,9,11-16,21H2,(H,23,26)
InChIKeyBPUUCNXPVSELQR-UHFFFAOYSA-N
XLogP1.41
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 162665066
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119605702
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 71336050
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119597610
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 119527517) is N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is NC(CNC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is BPUUCNXPVSELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-18(17-6-2-1-3-7-17)16-23-20(26)9-11-24-12-14-25(15-13-24)19-8-4-5-10-22-19/h1-8,10,18H,9,11-16,21H2,(H,23,26).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 119527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).