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

C16H24N4O2 — CID 111446252

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCC(O)CC1
InChIInChI=1S/C16H24N4O2/c21-14-4-7-20(8-5-14)16(22)13-18-9-11-19(12-10-18)15-3-1-2-6-17-15/h1-3,6,14,21H,4-5,7-13H2
InChIKeyKPIWVZLPBIGBDT-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.19
Rot. Bonds3

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

1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 111446252) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID111446252
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCC(O)CC1
InChIInChI=1S/C16H24N4O2/c21-14-4-7-20(8-5-14)16(22)13-18-9-11-19(12-10-18)15-3-1-2-6-17-15/h1-3,6,14,21H,4-5,7-13H2
InChIKeyKPIWVZLPBIGBDT-UHFFFAOYSA-N
XLogP0.19
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120817988
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1483802
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 111446252) is 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KPIWVZLPBIGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-14-4-7-20(8-5-14)16(22)13-18-9-11-19(12-10-18)15-3-1-2-6-17-15/h1-3,6,14,21H,4-5,7-13H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 111446252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).