3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

C12H18N4O — CID 22945719

IUPAC3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESNCCC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H18N4O/c13-4-1-12(17)16-9-7-15(8-10-16)11-2-5-14-6-3-11/h2-3,5-6H,1,4,7-10,13H2
InChIKeyCLMHRKPCIUHZPD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.08
Rot. Bonds3

About 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 22945719) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID22945719
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
SMILESNCCC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H18N4O/c13-4-1-12(17)16-9-7-15(8-10-16)11-2-5-14-6-3-11/h2-3,5-6H,1,4,7-10,13H2
InChIKeyCLMHRKPCIUHZPD-UHFFFAOYSA-N
XLogP0.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 31421196
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 166184387
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one (CID 22945719) is 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is NCCC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is CLMHRKPCIUHZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-4-1-12(17)16-9-7-15(8-10-16)11-2-5-14-6-3-11/h2-3,5-6H,1,4,7-10,13H2.
What are the key properties of 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one?
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 22945719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).