[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate

C16H26N6O4 — CID 67217493

IUPAC[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nnc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)o1
InChIInChI=1S/C16H26N6O4/c1-17-15(24)26-16-19-18-13(25-16)14(23)22-9-7-21(8-10-22)11-12-3-5-20(2)6-4-12/h12H,3-11H2,1-2H3,(H,17,24)
InChIKeyQDWADKMXCSNQLQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.11
Rot. Bonds4

About [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate

[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate (PubChem CID 67217493) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate
PubChem CID67217493
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nnc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)o1
InChIInChI=1S/C16H26N6O4/c1-17-15(24)26-16-19-18-13(25-16)14(23)22-9-7-21(8-10-22)11-12-3-5-20(2)6-4-12/h12H,3-11H2,1-2H3,(H,17,24)
InChIKeyQDWADKMXCSNQLQ-UHFFFAOYSA-N
XLogP-0.11
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate?
The IUPAC name of [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate (CID 67217493) is [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate.
What is the SMILES notation for [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate?
The canonical SMILES for [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nnc(C(=O)N2CCN(CC3CCN(C)CC3)CC2)o1.
What is the InChIKey of [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate?
The InChIKey is QDWADKMXCSNQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-17-15(24)26-16-19-18-13(25-16)14(23)22-9-7-21(8-10-22)11-12-3-5-20(2)6-4-12/h12H,3-11H2,1-2H3,(H,17,24).
What are the key properties of [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate?
[5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate has a molecular weight of 366.42 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carbonyl]-1,3,4-oxadiazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 67217493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).