2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone

C27H34N4O2 — CID 124827560

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@H](C)O[C@@H](C)C4)C3)c(-c3cccnc3)c2c1
InChIInChI=1S/C27H34N4O2/c1-18-8-9-24-23(12-18)26(21-6-4-10-28-13-21)27(29-24)22-7-5-11-31(16-22)25(32)17-30-14-19(2)33-20(3)15-30/h4,6,8-10,12-13,19-20,22,29H,5,7,11,14-17H2,1-3H3/t19-,20-,22+/m0/s1
InChIKeyQBMLGKPBXARUED-JAXLGGSGSA-N
MW446.60 g/mol
LogP4.35
Rot. Bonds4

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 124827560) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID124827560
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@H](C)O[C@@H](C)C4)C3)c(-c3cccnc3)c2c1
InChIInChI=1S/C27H34N4O2/c1-18-8-9-24-23(12-18)26(21-6-4-10-28-13-21)27(29-24)22-7-5-11-31(16-22)25(32)17-30-14-19(2)33-20(3)15-30/h4,6,8-10,12-13,19-20,22,29H,5,7,11,14-17H2,1-3H3/t19-,20-,22+/m0/s1
InChIKeyQBMLGKPBXARUED-JAXLGGSGSA-N
XLogP4.35
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 95856296
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
(3R)-4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 126417175

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone (CID 124827560) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone is Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@H](C)O[C@@H](C)C4)C3)c(-c3cccnc3)c2c1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QBMLGKPBXARUED-JAXLGGSGSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18-8-9-24-23(12-18)26(21-6-4-10-28-13-21)27(29-24)22-7-5-11-31(16-22)25(32)17-30-14-19(2)33-20(3)15-30/h4,6,8-10,12-13,19-20,22,29H,5,7,11,14-17H2,1-3H3/t19-,20-,22+/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 446.60 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124827560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).