1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid

C26H34N4O3 — CID 147786589

IUPAC1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCC(c3nc(C4(CN[C@@H]5C[C@H]5c5ccccc5)CC4)no3)CC2)CCC1
InChIInChI=1S/C26H34N4O3/c31-24(32)26(9-4-10-26)17-30-13-7-19(8-14-30)22-28-23(29-33-22)25(11-12-25)16-27-21-15-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,27H,4,7-17H2,(H,31,32)/t20-,21+/m0/s1
InChIKeyHIUOUYJKSDVOMP-LEWJYISDSA-N
MW450.58 g/mol
LogP3.68
Rot. Bonds9

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

1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 147786589) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID147786589
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCC(c3nc(C4(CN[C@@H]5C[C@H]5c5ccccc5)CC4)no3)CC2)CCC1
InChIInChI=1S/C26H34N4O3/c31-24(32)26(9-4-10-26)17-30-13-7-19(8-14-30)22-28-23(29-33-22)25(11-12-25)16-27-21-15-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,27H,4,7-17H2,(H,31,32)/t20-,21+/m0/s1
InChIKeyHIUOUYJKSDVOMP-LEWJYISDSA-N
XLogP3.68
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
US11433053, Example 226
CID 148628742
US11433053, Example 153
CID 146694800
US11433053, Example 149
CID 146745220
US11433053, Example 175
CID 147306765
US11433053, Example 167
CID 147306768
US11433053, Example 218
CID 147700020
US11433053, Example 253
CID 148044006
US11433053, Example 139
CID 148518917

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 147786589) is 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CN2CCC(c3nc(C4(CN[C@@H]5C[C@H]5c5ccccc5)CC4)no3)CC2)CCC1.
What is the InChIKey of 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HIUOUYJKSDVOMP-LEWJYISDSA-N. The full InChI is InChI=1S/C26H34N4O3/c31-24(32)26(9-4-10-26)17-30-13-7-19(8-14-30)22-28-23(29-33-22)25(11-12-25)16-27-21-15-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,27H,4,7-17H2,(H,31,32)/t20-,21+/m0/s1.
What are the key properties of 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 450.58 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[1-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 147786589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).