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

C16H20N6O2 — CID 75479414

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H20N6O2/c23-15(20-16-17-6-1-7-18-16)12-4-8-22(9-5-12)10-13-19-14(21-24-13)11-2-3-11/h1,6-7,11-12H,2-5,8-10H2,(H,17,18,20,23)
InChIKeyAQSXPXCWDHNTGN-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.59
Rot. Bonds5

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

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479414) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479414
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H20N6O2/c23-15(20-16-17-6-1-7-18-16)12-4-8-22(9-5-12)10-13-19-14(21-24-13)11-2-3-11/h1,6-7,11-12H,2-5,8-10H2,(H,17,18,20,23)
InChIKeyAQSXPXCWDHNTGN-UHFFFAOYSA-N
XLogP1.59
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479414) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is AQSXPXCWDHNTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(20-16-17-6-1-7-18-16)12-4-8-22(9-5-12)10-13-19-14(21-24-13)11-2-3-11/h1,6-7,11-12H,2-5,8-10H2,(H,17,18,20,23).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).