3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid

C19H26N2O4 — CID 72939313

IUPAC3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C19H26N2O4/c1-2-19(18(23)24)7-4-8-21(14-19)17(22)15-5-3-6-16(13-15)20-9-11-25-12-10-20/h3,5-6,13H,2,4,7-12,14H2,1H3,(H,23,24)
InChIKeyFIXULLLEQBFGFN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.24
Rot. Bonds4

About 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid

3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 72939313) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID72939313
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C19H26N2O4/c1-2-19(18(23)24)7-4-8-21(14-19)17(22)15-5-3-6-16(13-15)20-9-11-25-12-10-20/h3,5-6,13H,2,4,7-12,14H2,1H3,(H,23,24)
InChIKeyFIXULLLEQBFGFN-UHFFFAOYSA-N
XLogP2.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
1-[3-(dimethylamino)benzoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144613
3-ethyl-1-(5-hydroxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 63850482
3-ethyl-1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 107670785
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid (CID 72939313) is 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is FIXULLLEQBFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-19(18(23)24)7-4-8-21(14-19)17(22)15-5-3-6-16(13-15)20-9-11-25-12-10-20/h3,5-6,13H,2,4,7-12,14H2,1H3,(H,23,24).
What are the key properties of 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72939313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).