2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol

C35H43N5O2 — CID 148602287

About 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol

2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol (PubChem CID 148602287) has the molecular formula C35H43N5O2 and a molecular weight of 565.76 g/mol. Its IUPAC name is 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol
• PubChem CID: 148602287
• Molecular Formula: C35H43N5O2
• Molecular Weight: 565.76 g/mol
• Exact Mass: 565.34
• IUPAC Name: 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol
• SMILES: Cc1noc(-c2ccc(N3CCC[C@H](C[C@@H]4CCCC[C@H]4Nc4cc(-c5cccc(C(C)(C)O)c5)ccn4)C3)cc2)n1
• InChI: InChI=1S/C35H43N5O2/c1-24-37-34(42-39-24)26-13-15-31(16-14-26)40-19-7-8-25(23-40)20-29-9-4-5-12-32(29)38-33-22-28(17-18-36-33)27-10-6-11-30(21-27)35(2,3)41/h6,10-11,13-18,21-22,25,29,32,41H,4-5,7-9,12,19-20,23H2,1-3H3,(H,36,38)/t25-,29+,32-/m1/s1
• InChIKey: NCSXJKCTQGUJHP-VUGUGDOLSA-N
• XLogP: 7.61
• TPSA: 87.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.76
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol?

The IUPAC name of 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol (CID 148602287) is 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol?

The canonical SMILES for 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol is Cc1noc(-c2ccc(N3CCC[C@H](C[C@@H]4CCCC[C@H]4Nc4cc(-c5cccc(C(C)(C)O)c5)ccn4)C3)cc2)n1.

What is the InChIKey of 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol?

The InChIKey is NCSXJKCTQGUJHP-VUGUGDOLSA-N. The full InChI is InChI=1S/C35H43N5O2/c1-24-37-34(42-39-24)26-13-15-31(16-14-26)40-19-7-8-25(23-40)20-29-9-4-5-12-32(29)38-33-22-28(17-18-36-33)27-10-6-11-30(21-27)35(2,3)41/h6,10-11,13-18,21-22,25,29,32,41H,4-5,7-9,12,19-20,23H2,1-3H3,(H,36,38)/t25-,29+,32-/m1/s1.

What are the key properties of 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol?

2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol has a molecular weight of 565.76 g/mol, XLogP of 7.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[(1R,2S)-2-[[(3R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methyl]cyclohexyl]amino]-4-pyridinyl]phenyl]propan-2-ol is sourced from PubChem (CID 148602287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).