(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid

C14H24N2O4 — CID 81126016

IUPAC(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-12-9-20-10(2)7-16(12)14(19)15-6-4-5-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m0/s1
InChIKeySLMMYRISAHBBFM-CXQJBGSLSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81126016) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID81126016
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-3-12-9-20-10(2)7-16(12)14(19)15-6-4-5-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m0/s1
InChIKeySLMMYRISAHBBFM-CXQJBGSLSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 113222014
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3R)-1-(2-methyl-1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic acid
CID 81120994
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 60859251
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63149252
(2,5-dimethylmorpholin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654294
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid (CID 81126016) is (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid is CCC1COC(C)CN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SLMMYRISAHBBFM-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-12-9-20-10(2)7-16(12)14(19)15-6-4-5-11(8-15)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)/t10?,11-,12?/m0/s1.
What are the key properties of (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81126016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).