2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone

C18H22N4O — CID 75507878

IUPAC2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
SMILESCC(c1ccccn1)N1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C18H22N4O/c1-15(17-6-2-3-8-20-17)21-9-11-22(12-10-21)18(23)13-16-5-4-7-19-14-16/h2-8,14-15H,9-13H2,1H3
InChIKeyAEIZJEGBGPEJBC-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.92
Rot. Bonds4

About 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone

2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 75507878) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID75507878
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
SMILESCC(c1ccccn1)N1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C18H22N4O/c1-15(17-6-2-3-8-20-17)21-9-11-22(12-10-21)18(23)13-16-5-4-7-19-14-16/h2-8,14-15H,9-13H2,1H3
InChIKeyAEIZJEGBGPEJBC-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]ethanone
CID 127323032
2-pyridin-3-yl-1-(5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
CID 146530438
methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 158873719
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone (CID 75507878) is 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone is CC(c1ccccn1)N1CCN(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is AEIZJEGBGPEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15(17-6-2-3-8-20-17)21-9-11-22(12-10-21)18(23)13-16-5-4-7-19-14-16/h2-8,14-15H,9-13H2,1H3.
What are the key properties of 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone?
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75507878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).