2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one

C14H23N5O2 — CID 106964162

IUPAC2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CNC2CC2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N5O2/c1-10(13(20)19-7-3-2-4-8-19)16-14-18-17-12(21-14)9-15-11-5-6-11/h10-11,15H,2-9H2,1H3,(H,16,18)
InChIKeyNVPQOSIIQPAYKQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds6

About 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 106964162) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID106964162
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CNC2CC2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N5O2/c1-10(13(20)19-7-3-2-4-8-19)16-14-18-17-12(21-14)9-15-11-5-6-11/h10-11,15H,2-9H2,1H3,(H,16,18)
InChIKeyNVPQOSIIQPAYKQ-UHFFFAOYSA-N
XLogP1.13
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 106964162) is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1nnc(CNC2CC2)o1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is NVPQOSIIQPAYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(13(20)19-7-3-2-4-8-19)16-14-18-17-12(21-14)9-15-11-5-6-11/h10-11,15H,2-9H2,1H3,(H,16,18).
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 293.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106964162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).