1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid

C19H29N3O4 — CID 91839442

IUPAC1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
SMILESCN1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1C(=O)O
InChIInChI=1S/C19H29N3O4/c1-20-5-6-22(15-18(20)19(23)24)14-16-3-2-4-17(13-16)26-12-9-21-7-10-25-11-8-21/h2-4,13,18H,5-12,14-15H2,1H3,(H,23,24)
InChIKeyGAIDNUJUJVKPAE-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.60
Rot. Bonds7

About 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid

1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid (PubChem CID 91839442) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
PubChem CID91839442
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
SMILESCN1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1C(=O)O
InChIInChI=1S/C19H29N3O4/c1-20-5-6-22(15-18(20)19(23)24)14-16-3-2-4-17(13-16)26-12-9-21-7-10-25-11-8-21/h2-4,13,18H,5-12,14-15H2,1H3,(H,23,24)
InChIKeyGAIDNUJUJVKPAE-UHFFFAOYSA-N
XLogP0.60
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
4-[2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethyl]morpholine
CID 77084965
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[2-[3-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 99926332
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
(3aS,6aR)-2-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154921317
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
(2R)-1-methyl-4-[(3-pyridin-2-ylphenyl)methyl]piperazine-2-carboxylic acid
CID 95189473

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid (CID 91839442) is 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid is CN1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1C(=O)O.
What is the InChIKey of 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid?
The InChIKey is GAIDNUJUJVKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-20-5-6-22(15-18(20)19(23)24)14-16-3-2-4-17(13-16)26-12-9-21-7-10-25-11-8-21/h2-4,13,18H,5-12,14-15H2,1H3,(H,23,24).
What are the key properties of 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid?
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 91839442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).