[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

C17H29N5O2 — CID 143943511

IUPAC[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)co1
InChIInChI=1S/C17H29N5O2/c1-18-11-16-19-15(13-24-16)17(23)22-9-7-21(8-10-22)12-14-3-5-20(2)6-4-14/h13-14,18H,3-12H2,1-2H3
InChIKeyFLIAQKMYJBSRRJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.49
Rot. Bonds5

About [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone

[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 143943511) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID143943511
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
SMILESCNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)co1
InChIInChI=1S/C17H29N5O2/c1-18-11-16-19-15(13-24-16)17(23)22-9-7-21(8-10-22)12-14-3-5-20(2)6-4-14/h13-14,18H,3-12H2,1-2H3
InChIKeyFLIAQKMYJBSRRJ-UHFFFAOYSA-N
XLogP0.49
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone (CID 143943511) is [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is CNCc1nc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)co1.
What is the InChIKey of [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FLIAQKMYJBSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-18-11-16-19-15(13-24-16)17(23)22-9-7-21(8-10-22)12-14-3-5-20(2)6-4-14/h13-14,18H,3-12H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone?
[2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)-1,3-oxazol-4-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 143943511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).