1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone

C19H23N3O — CID 91843582

IUPAC1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16(23)17-5-7-19(8-6-17)22-14-12-21(13-15-22)11-9-18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3
InChIKeyBDYISENFTIPKGK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.65
Rot. Bonds5

About 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 91843582) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
PubChem CID91843582
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16(23)17-5-7-19(8-6-17)22-14-12-21(13-15-22)11-9-18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3
InChIKeyBDYISENFTIPKGK-UHFFFAOYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]phenyl]ethanone
CID 91835458
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-2-amine
CID 60892816
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
(4-propoxyphenyl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 17013548
2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10611815
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 134703358

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone (CID 91843582) is 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(CCc3ccccn3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is BDYISENFTIPKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16(23)17-5-7-19(8-6-17)22-14-12-21(13-15-22)11-9-18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3.
What are the key properties of 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 91843582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).