2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C18H27N3O3 — CID 95132226

IUPAC2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-18(23)16-5-3-7-19-17(16)14-21-8-2-1-4-15(21)6-9-20-10-12-24-13-11-20/h3,5,7,15H,1-2,4,6,8-14H2,(H,22,23)/t15-/m1/s1
InChIKeyXDWGVGLRDWGOAI-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.86
Rot. Bonds6

About 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 95132226) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID95132226
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC[C@@H]1CCN1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-18(23)16-5-3-7-19-17(16)14-21-8-2-1-4-15(21)6-9-20-10-12-24-13-11-20/h3,5,7,15H,1-2,4,6,8-14H2,(H,22,23)/t15-/m1/s1
InChIKeyXDWGVGLRDWGOAI-OAHLLOKOSA-N
XLogP1.86
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[[2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50975136
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[2-(1H-imidazol-2-yl)phenyl]-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70756590
4-[2-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]morpholine
CID 70726930
4-[2-[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95718058
4-[2-[(2S)-1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95720641
4-[2-[1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56893078
4-[2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56904273
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50951702

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 95132226) is 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCCC[C@@H]1CCN1CCOCC1.
What is the InChIKey of 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is XDWGVGLRDWGOAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-18(23)16-5-3-7-19-17(16)14-21-8-2-1-4-15(21)6-9-20-10-12-24-13-11-20/h3,5,7,15H,1-2,4,6,8-14H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).