(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid

C15H20N2O4S — CID 97468834

IUPAC(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccsc1
InChIInChI=1S/C15H20N2O4S/c18-14(11-2-8-22-10-11)17-3-1-12(9-13(17)15(19)20)16-4-6-21-7-5-16/h2,8,10,12-13H,1,3-7,9H2,(H,19,20)/t12-,13-/m1/s1
InChIKeyIAUNYGXXCPTFJS-CHWSQXEVSA-N
MW324.40 g/mol
LogP1.14
Rot. Bonds3

About (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid

(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 97468834) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID97468834
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccsc1
InChIInChI=1S/C15H20N2O4S/c18-14(11-2-8-22-10-11)17-3-1-12(9-13(17)15(19)20)16-4-6-21-7-5-16/h2,8,10,12-13H,1,3-7,9H2,(H,19,20)/t12-,13-/m1/s1
InChIKeyIAUNYGXXCPTFJS-CHWSQXEVSA-N
XLogP1.14
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanobenzoyl)-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 134072263
1-(4-methylbenzoyl)-4-morpholin-4-ylpiperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155825814
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124792962
(2S,4R)-4-pyrrolidin-1-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 97391111
(2S,4R)-1-[2-(3-fluorophenyl)acetyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 97391145
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-thiophen-3-ylmethanone
CID 97459002
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
(2S,4S)-1-(3-methoxybenzoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 97415451
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
4-[methyl(pyridin-3-ylmethyl)amino]-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 131657853
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid (CID 97468834) is (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1ccsc1.
What is the InChIKey of (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is IAUNYGXXCPTFJS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-14(11-2-8-22-10-11)17-3-1-12(9-13(17)15(19)20)16-4-6-21-7-5-16/h2,8,10,12-13H,1,3-7,9H2,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid?
(2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-morpholin-4-yl-1-(thiophene-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 97468834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).