[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone

C16H19N5O2 — CID 90641662

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H19N5O2/c22-16(15-17-6-2-7-18-15)21-8-1-3-11(10-21)9-13-19-14(20-23-13)12-4-5-12/h2,6-7,11-12H,1,3-5,8-10H2
InChIKeyANQCPZHDUIQBKF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.83
Rot. Bonds4

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 90641662) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID90641662
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H19N5O2/c22-16(15-17-6-2-7-18-15)21-8-1-3-11(10-21)9-13-19-14(20-23-13)12-4-5-12/h2,6-7,11-12H,1,3-5,8-10H2
InChIKeyANQCPZHDUIQBKF-UHFFFAOYSA-N
XLogP1.83
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 90641662) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCCC(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is ANQCPZHDUIQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-16(15-17-6-2-7-18-15)21-8-1-3-11(10-21)9-13-19-14(20-23-13)12-4-5-12/h2,6-7,11-12H,1,3-5,8-10H2.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 313.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 90641662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).