2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

C24H35N3O2 — CID 86889608

IUPAC2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C24H35N3O2/c1-16-13-26(14-17(2)29-16)15-20-9-11-27(12-10-20)19(4)24(28)23-18(3)25-22-8-6-5-7-21(22)23/h5-8,16-17,19-20,25H,9-15H2,1-4H3
InChIKeyNESVRLZOYHMYNS-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 86889608) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID86889608
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C24H35N3O2/c1-16-13-26(14-17(2)29-16)15-20-9-11-27(12-10-20)19(4)24(28)23-18(3)25-22-8-6-5-7-21(22)23/h5-8,16-17,19-20,25H,9-15H2,1-4H3
InChIKeyNESVRLZOYHMYNS-UHFFFAOYSA-N
XLogP3.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 8688287
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8899178
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117507
N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86889517
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8587205
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 18082753
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
(2S)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 40984857
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 86889608) is 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)C(C)N1CCC(CN2CC(C)OC(C)C2)CC1.
What is the InChIKey of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is NESVRLZOYHMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-16-13-26(14-17(2)29-16)15-20-9-11-27(12-10-20)19(4)24(28)23-18(3)25-22-8-6-5-7-21(22)23/h5-8,16-17,19-20,25H,9-15H2,1-4H3.
What are the key properties of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 397.56 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 86889608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).