4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine

C21H27N3O2 — CID 15627234

IUPAC4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine
SMILESCn1c(C#CCN2CCOCC2)c(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-22-20-6-3-2-5-18(20)19(17-24-11-15-26-16-12-24)21(22)7-4-8-23-9-13-25-14-10-23/h2-3,5-6H,8-17H2,1H3
InChIKeyNFZXOERBQCCXTO-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.69
Rot. Bonds3

About 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine

4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine (PubChem CID 15627234) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine
PubChem CID15627234
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine
SMILESCn1c(C#CCN2CCOCC2)c(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-22-20-6-3-2-5-18(20)19(17-24-11-15-26-16-12-24)21(22)7-4-8-23-9-13-25-14-10-23/h2-3,5-6H,8-17H2,1H3
InChIKeyNFZXOERBQCCXTO-UHFFFAOYSA-N
XLogP1.69
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3-morpholin-4-ylprop-1-ynyl)indole-3-carbaldehyde
CID 13316100
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
CID 13316106
N-[(1,3-dimethylindol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 107234652
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
4-[(1,2-dimethyl-5-nitrosoindol-3-yl)methyl]morpholine
CID 89109991

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine (CID 15627234) is 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine is Cn1c(C#CCN2CCOCC2)c(CN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine?
The InChIKey is NFZXOERBQCCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-22-20-6-3-2-5-18(20)19(17-24-11-15-26-16-12-24)21(22)7-4-8-23-9-13-25-14-10-23/h2-3,5-6H,8-17H2,1H3.
What are the key properties of 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine?
4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-methyl-3-(morpholin-4-ylmethyl)indol-2-yl]prop-2-ynyl]morpholine is sourced from PubChem (CID 15627234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).