(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine

C17H22N2O2 — CID 67185221

IUPAC(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
SMILESc1cc2[nH]cc(C[C@H]3COCCN3)c2cc1OC1CCC1
InChIInChI=1S/C17H22N2O2/c1-2-14(3-1)21-15-4-5-17-16(9-15)12(10-19-17)8-13-11-20-7-6-18-13/h4-5,9-10,13-14,18-19H,1-3,6-8,11H2/t13-/m0/s1
InChIKeyYMGSQALGZNLJGS-ZDUSSCGKSA-N
MW286.37 g/mol
LogP2.63
Rot. Bonds4

About (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine

(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine (PubChem CID 67185221) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
PubChem CID67185221
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
SMILESc1cc2[nH]cc(C[C@H]3COCCN3)c2cc1OC1CCC1
InChIInChI=1S/C17H22N2O2/c1-2-14(3-1)21-15-4-5-17-16(9-15)12(10-19-17)8-13-11-20-7-6-18-13/h4-5,9-10,13-14,18-19H,1-3,6-8,11H2/t13-/m0/s1
InChIKeyYMGSQALGZNLJGS-ZDUSSCGKSA-N
XLogP2.63
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine with MolForge

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Related Compounds

methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
CID 67187780
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
4-[[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]thiane 1-oxide
CID 177026467
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine?
The IUPAC name of (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine (CID 67185221) is (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine is c1cc2[nH]cc(C[C@H]3COCCN3)c2cc1OC1CCC1.
What is the InChIKey of (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine?
The InChIKey is YMGSQALGZNLJGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-14(3-1)21-15-4-5-17-16(9-15)12(10-19-17)8-13-11-20-7-6-18-13/h4-5,9-10,13-14,18-19H,1-3,6-8,11H2/t13-/m0/s1.
What are the key properties of (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine?
(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine has a molecular weight of 286.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine is sourced from PubChem (CID 67185221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).