2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one

C15H23N3O — CID 120731770

IUPAC2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c1-3-12(4-2)15(19)18-9-8-17-11-14(18)13-6-5-7-16-10-13/h5-7,10,12,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyQXYLPSYUIANOBL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds4

About 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one

2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one (PubChem CID 120731770) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
PubChem CID120731770
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c1-3-12(4-2)15(19)18-9-8-17-11-14(18)13-6-5-7-16-10-13/h5-7,10,12,14,17H,3-4,8-9,11H2,1-2H3
InChIKeyQXYLPSYUIANOBL-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-methyl-3-phenylsulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730946
[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea
CID 120732477
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
3-(4-fluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732515
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one (CID 120731770) is 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one is CCC(CC)C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
The InChIKey is QXYLPSYUIANOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12(4-2)15(19)18-9-8-17-11-14(18)13-6-5-7-16-10-13/h5-7,10,12,14,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one?
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 120731770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).