2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C16H18N4O — CID 110696951

IUPAC2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18N4O/c21-16(13-14-5-1-3-7-17-14)20-11-9-19(10-12-20)15-6-2-4-8-18-15/h1-8H,9-13H2
InChIKeyOTSMSNKIEFIUEP-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.37
Rot. Bonds3

About 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110696951) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID110696951
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18N4O/c21-16(13-14-5-1-3-7-17-14)20-11-9-19(10-12-20)15-6-2-4-8-18-15/h1-8H,9-13H2
InChIKeyOTSMSNKIEFIUEP-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 110696951) is 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1ccccn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OTSMSNKIEFIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(13-14-5-1-3-7-17-14)20-11-9-19(10-12-20)15-6-2-4-8-18-15/h1-8H,9-13H2.
What are the key properties of 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 282.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110696951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).