[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C17H24N2O3S — CID 94051622

IUPAC[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)[C@@H](C)CO1
InChIInChI=1S/C17H24N2O3S/c1-12-11-22-13(2)9-19(12)16(20)14-5-3-7-18(10-14)17(21)15-6-4-8-23-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyHDUHGOFQOYLOCS-BFHYXJOUSA-N
MW336.46 g/mol
LogP2.24
Rot. Bonds2

About [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 94051622) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID94051622
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)[C@@H](C)CO1
InChIInChI=1S/C17H24N2O3S/c1-12-11-22-13(2)9-19(12)16(20)14-5-3-7-18(10-14)17(21)15-6-4-8-23-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyHDUHGOFQOYLOCS-BFHYXJOUSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 33172007
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 94051622) is [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)[C@@H](C)CO1.
What is the InChIKey of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is HDUHGOFQOYLOCS-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-11-22-13(2)9-19(12)16(20)14-5-3-7-18(10-14)17(21)15-6-4-8-23-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 94051622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).