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

C16H24N4O — CID 78782292

IUPAC1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(20-8-4-1-5-9-20)14-18-10-12-19(13-11-18)15-6-2-3-7-17-15/h2-3,6-7H,1,4-5,8-14H2
InChIKeyBUBPISMRQQMGHE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.22
Rot. Bonds3

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

1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 78782292) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID78782292
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C16H24N4O/c21-16(20-8-4-1-5-9-20)14-18-10-12-19(13-11-18)15-6-2-3-7-17-15/h2-3,6-7H,1,4-5,8-14H2
InChIKeyBUBPISMRQQMGHE-UHFFFAOYSA-N
XLogP1.22
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
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
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8616526
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120817988
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 78782292) is 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BUBPISMRQQMGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(20-8-4-1-5-9-20)14-18-10-12-19(13-11-18)15-6-2-3-7-17-15/h2-3,6-7H,1,4-5,8-14H2.
What are the key properties of 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 78782292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).