(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone

C20H27N3O2 — CID 95584856

IUPAC(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(N4CCO[C@@H](C)C4)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-14-3-4-18-16(11-14)12-19(21-18)20(24)22-7-5-17(6-8-22)23-9-10-25-15(2)13-23/h3-4,11-12,15,17,21H,5-10,13H2,1-2H3/t15-/m0/s1
InChIKeyNWVDSRYHNSKADS-HNNXBMFYSA-N
MW341.46 g/mol
LogP2.80
Rot. Bonds2

About (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone

(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone (PubChem CID 95584856) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
PubChem CID95584856
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(N4CCO[C@@H](C)C4)CC3)cc2c1
InChIInChI=1S/C20H27N3O2/c1-14-3-4-18-16(11-14)12-19(21-18)20(24)22-7-5-17(6-8-22)23-9-10-25-15(2)13-23/h3-4,11-12,15,17,21H,5-10,13H2,1-2H3/t15-/m0/s1
InChIKeyNWVDSRYHNSKADS-HNNXBMFYSA-N
XLogP2.80
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 98741991
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 50958229
(3-indazol-1-ylpyrrolidin-1-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 166206976
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86846041
(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 120645207
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone (CID 95584856) is (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCC(N4CCO[C@@H](C)C4)CC3)cc2c1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
The InChIKey is NWVDSRYHNSKADS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-3-4-18-16(11-14)12-19(21-18)20(24)22-7-5-17(6-8-22)23-9-10-25-15(2)13-23/h3-4,11-12,15,17,21H,5-10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone?
(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95584856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).