[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone

C20H27N3O2 — CID 70776536

IUPAC[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O2/c1-14-12-23(13-15(2)25-14)18-6-9-22(10-7-18)20(24)17-3-4-19-16(11-17)5-8-21-19/h3-5,8,11,14-15,18,21H,6-7,9-10,12-13H2,1-2H3/t14-,15+
InChIKeyNPIYABCDVWCWAC-GASCZTMLSA-N
MW341.45 g/mol
LogP2.88
Rot. Bonds2

About [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone

[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 70776536) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID70776536
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C[C@H](C)O1
InChIInChI=1S/C20H27N3O2/c1-14-12-23(13-15(2)25-14)18-6-9-22(10-7-18)20(24)17-3-4-19-16(11-17)5-8-21-19/h3-5,8,11,14-15,18,21H,6-7,9-10,12-13H2,1-2H3/t14-,15+
InChIKeyNPIYABCDVWCWAC-GASCZTMLSA-N
XLogP2.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899305
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 137335812
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 90586727

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone (CID 70776536) is [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone is C[C@@H]1CN(C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C[C@H](C)O1.
What is the InChIKey of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is NPIYABCDVWCWAC-GASCZTMLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-12-23(13-15(2)25-14)18-6-9-22(10-7-18)20(24)17-3-4-19-16(11-17)5-8-21-19/h3-5,8,11,14-15,18,21H,6-7,9-10,12-13H2,1-2H3/t14-,15+.
What are the key properties of [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone?
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 70776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).