N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C18H32N6O — CID 90928615

IUPACN-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCN(CCCN2CCN(Cc3nnc(CNC4CC4)o3)CC2)C1
InChIInChI=1S/C18H32N6O/c1-2-7-22(6-1)8-3-9-23-10-12-24(13-11-23)15-18-21-20-17(25-18)14-19-16-4-5-16/h16,19H,1-15H2
InChIKeyBFCGIQCOMXTNDB-UHFFFAOYSA-N
MW348.50 g/mol
LogP0.93
Rot. Bonds9

About N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 90928615) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID90928615
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC NameN-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCN(CCCN2CCN(Cc3nnc(CNC4CC4)o3)CC2)C1
InChIInChI=1S/C18H32N6O/c1-2-7-22(6-1)8-3-9-23-10-12-24(13-11-23)15-18-21-20-17(25-18)14-19-16-4-5-16/h16,19H,1-15H2
InChIKeyBFCGIQCOMXTNDB-UHFFFAOYSA-N
XLogP0.93
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 90928615) is N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is C1CCN(CCCN2CCN(Cc3nnc(CNC4CC4)o3)CC2)C1.
What is the InChIKey of N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is BFCGIQCOMXTNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-2-7-22(6-1)8-3-9-23-10-12-24(13-11-23)15-18-21-20-17(25-18)14-19-16-4-5-16/h16,19H,1-15H2.
What are the key properties of N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 348.50 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 90928615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).