1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C16H22N6O2 — CID 72904711

IUPAC1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C16H22N6O2/c1-3-22-9-4-6-16(2,11-22)15(23)19-10-12-20-14(21-24-12)13-17-7-5-8-18-13/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,23)
InChIKeyRJQFFCCLBDBKSJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.26
Rot. Bonds5

About 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 72904711) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID72904711
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCc2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C16H22N6O2/c1-3-22-9-4-6-16(2,11-22)15(23)19-10-12-20-14(21-24-12)13-17-7-5-8-18-13/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,23)
InChIKeyRJQFFCCLBDBKSJ-UHFFFAOYSA-N
XLogP1.26
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 72904711) is 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCN1CCCC(C)(C(=O)NCc2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RJQFFCCLBDBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-22-9-4-6-16(2,11-22)15(23)19-10-12-20-14(21-24-12)13-17-7-5-8-18-13/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,23).
What are the key properties of 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72904711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).