1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid

C15H18N2O3 — CID 117175278

IUPAC1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
SMILESCn1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-9-12(10-17-4-6-20-7-5-17)13-8-11(15(18)19)2-3-14(13)16/h2-3,8-9H,4-7,10H2,1H3,(H,18,19)
InChIKeyBZZUOWLLKPMKRN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.71
Rot. Bonds3

About 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid

1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid (PubChem CID 117175278) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
PubChem CID117175278
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
SMILESCn1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-9-12(10-17-4-6-20-7-5-17)13-8-11(15(18)19)2-3-14(13)16/h2-3,8-9H,4-7,10H2,1H3,(H,18,19)
InChIKeyBZZUOWLLKPMKRN-UHFFFAOYSA-N
XLogP1.71
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250
4-[(1-methyl-6-nitrosoindol-3-yl)methyl]morpholine
CID 89110009
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
1,9-dimethyl-3-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopyrido[2,3-b]indole-6-carboxylic acid
CID 69180460
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid (CID 117175278) is 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid is Cn1cc(CN2CCOCC2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid?
The InChIKey is BZZUOWLLKPMKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-9-12(10-17-4-6-20-7-5-17)13-8-11(15(18)19)2-3-14(13)16/h2-3,8-9H,4-7,10H2,1H3,(H,18,19).
What are the key properties of 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid?
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid is sourced from PubChem (CID 117175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).