(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one

C17H24N2O3S — CID 124853509

IUPAC(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O3S/c1-11-9-19(10-12(2)22-11)17(21)13-6-7-15(20)18(3)16(13)14-5-4-8-23-14/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3/t11-,12-,13-,16-/m1/s1
InChIKeyQRTZUUSWXNRGED-BRXULGCHSA-N
MW336.46 g/mol
LogP2.29
Rot. Bonds2

About (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one

(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one (PubChem CID 124853509) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
PubChem CID124853509
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@@H](C)O1
InChIInChI=1S/C17H24N2O3S/c1-11-9-19(10-12(2)22-11)17(21)13-6-7-15(20)18(3)16(13)14-5-4-8-23-14/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3/t11-,12-,13-,16-/m1/s1
InChIKeyQRTZUUSWXNRGED-BRXULGCHSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,6S)-5-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 96513209
(5R,6S)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-(4-methylphenyl)piperidin-2-one
CID 98768946
(2R,3S)-N-cyclopropyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738837
(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738826
(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738303
(2S,3S)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738302
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481
(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 95739109
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one?
The IUPAC name of (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one (CID 124853509) is (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one.
What is the SMILES notation for (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one?
The canonical SMILES for (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one is C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)C[C@@H](C)O1.
What is the InChIKey of (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one?
The InChIKey is QRTZUUSWXNRGED-BRXULGCHSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-9-19(10-12(2)22-11)17(21)13-6-7-15(20)18(3)16(13)14-5-4-8-23-14/h4-5,8,11-13,16H,6-7,9-10H2,1-3H3/t11-,12-,13-,16-/m1/s1.
What are the key properties of (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one?
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one is sourced from PubChem (CID 124853509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).