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

C28H35N3O4 — CID 90467477

IUPAC[4-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC[C@H](OC)C[C@H]1c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=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
InChIKeyQBFAOCGPILMBGJ-DHLKQENFSA-N
MW477.61 g/mol
LogP4.31
Rot. Bonds6

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

[4-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 90467477) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is [4-[(2S,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-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID90467477
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name[4-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC[C@H](OC)C[C@H]1c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=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
InChIKeyQBFAOCGPILMBGJ-DHLKQENFSA-N
XLogP4.31
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S,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-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 90467477) is [4-[(2S,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-[(2S,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-[(2S,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)C[C@H]1c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is QBFAOCGPILMBGJ-DHLKQENFSA-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-[(2S,4S)-4-methoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[(2S,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-[(2S,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 90467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).