(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

C20H29N3O3 — CID 45244684

IUPAC(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCOc1ccc2[nH]c(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c(C)c2c1
InChIInChI=1S/C20H29N3O3/c1-14-16-11-15(25-2)3-4-17(16)21-18(14)12-22-6-5-19(20(24)13-22)23-7-9-26-10-8-23/h3-4,11,19-21,24H,5-10,12-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyRTBDRGFKMPQUQQ-WOJBJXKFSA-N
MW359.47 g/mol
LogP1.75
Rot. Bonds4

About (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol

(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (PubChem CID 45244684) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
PubChem CID45244684
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
SMILESCOc1ccc2[nH]c(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c(C)c2c1
InChIInChI=1S/C20H29N3O3/c1-14-16-11-15(25-2)3-4-17(16)21-18(14)12-22-6-5-19(20(24)13-22)23-7-9-26-10-8-23/h3-4,11,19-21,24H,5-10,12-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyRTBDRGFKMPQUQQ-WOJBJXKFSA-N
XLogP1.75
TPSA60.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
CID 25385611
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CID 29256663
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
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CID 74241751
formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
CID 154909128
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
(3R,4R)-1-[(4-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 31015761
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 26390770
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45215915
(3R,4R)-4-(azepan-1-yl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol (CID 45244684) is (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is COc1ccc2[nH]c(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c(C)c2c1.
What is the InChIKey of (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
The InChIKey is RTBDRGFKMPQUQQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-16-11-15(25-2)3-4-17(16)21-18(14)12-22-6-5-19(20(24)13-22)23-7-9-26-10-8-23/h3-4,11,19-21,24H,5-10,12-13H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol?
(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol has a molecular weight of 359.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol is sourced from PubChem (CID 45244684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).