trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine

C20H26N4O — CID 155265960

IUPACtrans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-4-14(5-3-1)16-12-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-6-10-21-11-7-15/h1-5,15-17,21-22H,6-13H2/t16-,17+/m0/s1
InChIKeyMJWSTPBVAONQCS-DLBZAZTESA-N
MW338.46 g/mol
LogP2.71
Rot. Bonds6

About trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine (PubChem CID 155265960) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine
PubChem CID155265960
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Nametrans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCNCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-4-14(5-3-1)16-12-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-6-10-21-11-7-15/h1-5,15-17,21-22H,6-13H2/t16-,17+/m0/s1
InChIKeyMJWSTPBVAONQCS-DLBZAZTESA-N
XLogP2.71
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine (CID 155265960) is trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCC2(c3noc(C4CCNCC4)n3)CC2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine?
The InChIKey is MJWSTPBVAONQCS-DLBZAZTESA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-4-14(5-3-1)16-12-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-6-10-21-11-7-15/h1-5,15-17,21-22H,6-13H2/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine has a molecular weight of 338.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-[[1-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 155265960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).