1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one

C14H21N3O — CID 110459300

IUPAC1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-3-14(18)17-10-8-16(9-11-17)12(2)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWZJPARJVOCUMFA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one

1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 110459300) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID110459300
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-3-14(18)17-10-8-16(9-11-17)12(2)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyWZJPARJVOCUMFA-UHFFFAOYSA-N
XLogP1.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460739
2-amino-2-methyl-1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 110460967
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
(5-amino-1-methylpyrazol-4-yl)-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 110451998
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
CID 95204864
(3-methylphenyl)-[4-[(1R)-1-pyridin-4-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95621591
1-[4-(2,4-dimethylpentan-3-yl)piperazin-1-yl]propan-1-one
CID 140968598
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
(4-chlorophenyl)-[1-[4-(1-pyridin-4-ylethyl)piperazine-1-carbonyl]piperidin-4-yl]methanone
CID 21306908
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
3-methyl-2-[4-[2-(1-pyridin-4-ylethylamino)acetyl]piperazin-1-yl]butanenitrile
CID 86787303

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one (CID 110459300) is 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is WZJPARJVOCUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-14(18)17-10-8-16(9-11-17)12(2)13-4-6-15-7-5-13/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one?
1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110459300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).