[4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone

C28H35N3O4 — CID 134382447

About [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 134382447) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone
• PubChem CID: 134382447
• Molecular Formula: C28H35N3O4
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.26
• IUPAC Name: [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone
• SMILES: COc1cc(C)c2[nH]ccc2c1CN1CC[C@H](OC)CC1c1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C28H35N3O4/c1-19-16-26(34-3)24(23-8-10-29-27(19)23)18-31-11-9-22(33-2)17-25(31)20-4-6-21(7-5-20)28(32)30-12-14-35-15-13-30/h4-8,10,16,22,25,29H,9,11-15,17-18H2,1-3H3/t22-,25?/m0/s1
• InChIKey: QBFAOCGPILMBGJ-XADRRFQNSA-N
• XLogP: 4.31
• TPSA: 67.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?

The IUPAC name of [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 134382447) is [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone is COc1cc(C)c2[nH]ccc2c1CN1CC[C@H](OC)CC1c1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?

The InChIKey is QBFAOCGPILMBGJ-XADRRFQNSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-16-26(34-3)24(23-8-10-29-27(19)23)18-31-11-9-22(33-2)17-25(31)20-4-6-21(7-5-20)28(32)30-12-14-35-15-13-30/h4-8,10,16,22,25,29H,9,11-15,17-18H2,1-3H3/t22-,25?/m0/s1.

What are the key properties of [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?

[4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 477.61 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134382447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).