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

C20H26N4O — CID 148518917

IUPAC(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15/h1-3,5-6,15-17,21-22H,4,7-13H2/t15-,16?,17+/m1/s1
InChIKeyMNZXTKYVBRYGNE-SKQWJGTPSA-N
MW338.46 g/mol
LogP2.71
Rot. Bonds6

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

(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine (PubChem CID 148518917) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine
PubChem CID148518917
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine
SMILESc1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15/h1-3,5-6,15-17,21-22H,4,7-13H2/t15-,16?,17+/m1/s1
InChIKeyMNZXTKYVBRYGNE-SKQWJGTPSA-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 (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine 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
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-benzyl-1,2,4-oxadiazole
CID 9903517
4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
US11433053, Example 226
CID 148628742
US11433053, Example 244
CID 155265904
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
US11433053, Example 144
CID 146311171
US11433053, Example 153
CID 146694800
US11433053, Example 117
CID 146732295
US11433053, Example 149
CID 146745220
US11433053, Example 171
CID 146789668

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine?
The IUPAC name of (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine (CID 148518917) is (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine is c1ccc(C2C[C@@H]2NCC2(c3noc([C@@H]4CCCNC4)n3)CC2)cc1.
What is the InChIKey of (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine?
The InChIKey is MNZXTKYVBRYGNE-SKQWJGTPSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-5-14(6-3-1)16-11-17(16)22-13-20(8-9-20)19-23-18(25-24-19)15-7-4-10-21-12-15/h1-3,5-6,15-17,21-22H,4,7-13H2/t15-,16?,17+/m1/s1.
What are the key properties of (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine?
(1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-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 (1S)-2-phenyl-N-[[1-[5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 148518917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).