[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone

C18H22N4O2 — CID 138055078

IUPAC[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC(c2nnc(N)o2)CC1
InChIInChI=1S/C18H22N4O2/c1-18(13-5-3-2-4-6-13)11-14(18)16(23)22-9-7-12(8-10-22)15-20-21-17(19)24-15/h2-6,12,14H,7-11H2,1H3,(H2,19,21)/t14-,18+/m0/s1
InChIKeyAZOBIFQLHQZKQR-KBXCAEBGSA-N
MW326.40 g/mol
LogP2.34
Rot. Bonds3

About [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone

[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone (PubChem CID 138055078) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone
PubChem CID138055078
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC(c2nnc(N)o2)CC1
InChIInChI=1S/C18H22N4O2/c1-18(13-5-3-2-4-6-13)11-14(18)16(23)22-9-7-12(8-10-22)15-20-21-17(19)24-15/h2-6,12,14H,7-11H2,1H3,(H2,19,21)/t14-,18+/m0/s1
InChIKeyAZOBIFQLHQZKQR-KBXCAEBGSA-N
XLogP2.34
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone (CID 138055078) is [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone is C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCC(c2nnc(N)o2)CC1.
What is the InChIKey of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone?
The InChIKey is AZOBIFQLHQZKQR-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(13-5-3-2-4-6-13)11-14(18)16(23)22-9-7-12(8-10-22)15-20-21-17(19)24-15/h2-6,12,14H,7-11H2,1H3,(H2,19,21)/t14-,18+/m0/s1.
What are the key properties of [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone?
[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-[(1R,2S)-2-methyl-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 138055078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).