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

C22H28N4O — CID 78738418

IUPAC2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C22H28N4O/c27-22(26-13-7-2-8-14-26)21(19-9-3-1-4-10-19)25-17-15-24(16-18-25)20-11-5-6-12-23-20/h1,3-6,9-12,21H,2,7-8,13-18H2
InChIKeyXJGIHLCDXBEQMV-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.96
Rot. Bonds4

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

2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 78738418) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID78738418
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C22H28N4O/c27-22(26-13-7-2-8-14-26)21(19-9-3-1-4-10-19)25-17-15-24(16-18-25)20-11-5-6-12-23-20/h1,3-6,9-12,21H,2,7-8,13-18H2
InChIKeyXJGIHLCDXBEQMV-UHFFFAOYSA-N
XLogP2.96
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
(2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31370609
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
2-[(1R)-2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 20862743
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 126771039
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
(2R)-2-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 97186949
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-(4-fluorophenyl)-2-piperidin-1-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 131939688

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 78738418) is 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(C(c1ccccc1)N1CCN(c2ccccn2)CC1)N1CCCCC1.
What is the InChIKey of 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is XJGIHLCDXBEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(26-13-7-2-8-14-26)21(19-9-3-1-4-10-19)25-17-15-24(16-18-25)20-11-5-6-12-23-20/h1,3-6,9-12,21H,2,7-8,13-18H2.
What are the key properties of 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 364.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 78738418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).