4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C13H20N4O — CID 22692257

IUPAC4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c14-6-3-5-13(18)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11,14H2
InChIKeyNGYWMSQABRGJNI-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.47
Rot. Bonds4

About 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 22692257) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID22692257
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H20N4O/c14-6-3-5-13(18)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11,14H2
InChIKeyNGYWMSQABRGJNI-UHFFFAOYSA-N
XLogP0.47
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
5-[(3R)-dithiolan-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 96556681
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 22692257) is 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is NCCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is NGYWMSQABRGJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-6-3-5-13(18)17-10-8-16(9-11-17)12-4-1-2-7-15-12/h1-2,4,7H,3,5-6,8-11,14H2.
What are the key properties of 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 22692257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).