3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid

C20H30N2O3 — CID 72915723

IUPAC3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
SMILESCC(C)(CN1CCCC(c2cccc(C(=O)O)c2)C1)N1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-20(2,22-9-11-25-12-10-22)15-21-8-4-7-18(14-21)16-5-3-6-17(13-16)19(23)24/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3,(H,23,24)
InChIKeyYXGICUUKYAIJOS-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.67
Rot. Bonds5

About 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid

3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid (PubChem CID 72915723) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
PubChem CID72915723
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
SMILESCC(C)(CN1CCCC(c2cccc(C(=O)O)c2)C1)N1CCOCC1
InChIInChI=1S/C20H30N2O3/c1-20(2,22-9-11-25-12-10-22)15-21-8-4-7-18(14-21)16-5-3-6-17(13-16)19(23)24/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3,(H,23,24)
InChIKeyYXGICUUKYAIJOS-UHFFFAOYSA-N
XLogP2.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
4-[(3R)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid
CID 97194980
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
4-[[(3R)-1-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95876961
3-[(3S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-3-yl]benzoic acid
CID 97199508
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
3-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]benzoic acid
CID 97191593
3-[(3S)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97187032
3-[(3R)-1-[ethyl(methyl)sulfamoyl]piperidin-3-yl]benzoic acid
CID 97195906
3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzoic acid
CID 72844091
4-[2-methyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 77097111

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid (CID 72915723) is 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid is CC(C)(CN1CCCC(c2cccc(C(=O)O)c2)C1)N1CCOCC1.
What is the InChIKey of 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
The InChIKey is YXGICUUKYAIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,22-9-11-25-12-10-22)15-21-8-4-7-18(14-21)16-5-3-6-17(13-16)19(23)24/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3,(H,23,24).
What are the key properties of 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid?
3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid has a molecular weight of 346.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72915723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).