2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H28N4O — CID 55703482

IUPAC2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N4O/c1-23(13-7-10-19-8-3-2-4-9-19)18-21(26)25-16-14-24(15-17-25)20-11-5-6-12-22-20/h2-6,8-9,11-12H,7,10,13-18H2,1H3
InChIKeyIJPAQUZAGKTEJD-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.29
Rot. Bonds7

About 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 55703482) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID55703482
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H28N4O/c1-23(13-7-10-19-8-3-2-4-9-19)18-21(26)25-16-14-24(15-17-25)20-11-5-6-12-22-20/h2-6,8-9,11-12H,7,10,13-18H2,1H3
InChIKeyIJPAQUZAGKTEJD-UHFFFAOYSA-N
XLogP2.29
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113161227
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(3-phenylpropyl)amino]ethanone
CID 60509956
N-methyl-4-[[methyl-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]methyl]benzamide
CID 9125636
2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 141220319
N-[(4-chlorophenyl)methyl]-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113162741
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8924523
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715
(2E)-2-benzylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110298772
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 55703482) is 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CN(CCCc1ccccc1)CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IJPAQUZAGKTEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23(13-7-10-19-8-3-2-4-9-19)18-21(26)25-16-14-24(15-17-25)20-11-5-6-12-22-20/h2-6,8-9,11-12H,7,10,13-18H2,1H3.
What are the key properties of 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 352.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55703482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).