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

C20H26N6O — CID 2813993

IUPAC1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N6O/c27-20(26-15-13-25(14-16-26)19-6-2-4-8-22-19)17-23-9-11-24(12-10-23)18-5-1-3-7-21-18/h1-8H,9-17H2
InChIKeyRCTNMOZVUCZBEW-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.95
Rot. Bonds4

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

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 2813993) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID2813993
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N6O/c27-20(26-15-13-25(14-16-26)19-6-2-4-8-22-19)17-23-9-11-24(12-10-23)18-5-1-3-7-21-18/h1-8H,9-17H2
InChIKeyRCTNMOZVUCZBEW-UHFFFAOYSA-N
XLogP0.95
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120817988
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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 2813993) is 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RCTNMOZVUCZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(26-15-13-25(14-16-26)19-6-2-4-8-22-19)17-23-9-11-24(12-10-23)18-5-1-3-7-21-18/h1-8H,9-17H2.
What are the key properties of 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 366.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2813993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).