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

C18H28N4O — CID 109004744

IUPAC2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-2-16-7-4-6-10-22(16)15-18(23)21-13-11-20(12-14-21)17-8-3-5-9-19-17/h3,5,8-9,16H,2,4,6-7,10-15H2,1H3
InChIKeyQMMWKVVLWYKMQM-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.99
Rot. Bonds4

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

2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 109004744) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID109004744
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c1-2-16-7-4-6-10-22(16)15-18(23)21-13-11-20(12-14-21)17-8-3-5-9-19-17/h3,5,8-9,16H,2,4,6-7,10-15H2,1H3
InChIKeyQMMWKVVLWYKMQM-UHFFFAOYSA-N
XLogP1.99
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 100909658
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
(3R)-1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepan-2-one
CID 164640933
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 109004744) is 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CCC1CCCCN1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QMMWKVVLWYKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-16-7-4-6-10-22(16)15-18(23)21-13-11-20(12-14-21)17-8-3-5-9-19-17/h3,5,8-9,16H,2,4,6-7,10-15H2,1H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 316.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109004744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).