[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone

C21H28N4O2 — CID 77084777

IUPAC[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCN1CCC(CN2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23-9-7-17(8-10-23)16-24-11-13-25(14-12-24)21(26)19-15-22-27-20(19)18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3
InChIKeySTSWVEGSQOOVFB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.44
Rot. Bonds4

About [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone

[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 77084777) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID77084777
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCN1CCC(CN2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23-9-7-17(8-10-23)16-24-11-13-25(14-12-24)21(26)19-15-22-27-20(19)18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3
InChIKeySTSWVEGSQOOVFB-UHFFFAOYSA-N
XLogP2.44
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone (CID 77084777) is [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone is CN1CCC(CN2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)CC1.
What is the InChIKey of [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is STSWVEGSQOOVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-9-7-17(8-10-23)16-24-11-13-25(14-12-24)21(26)19-15-22-27-20(19)18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3.
What are the key properties of [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 77084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).