[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C16H24N2O2S — CID 70732293

IUPAC[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccsc3)CC2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2S/c1-12-9-18(10-13(2)20-12)15-3-6-17(7-4-15)16(19)14-5-8-21-11-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3/t12-,13+
InChIKeyWJXTVDICWTVXEI-BETUJISGSA-N
MW308.45 g/mol
LogP2.46
Rot. Bonds2

About [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 70732293) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID70732293
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccsc3)CC2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O2S/c1-12-9-18(10-13(2)20-12)15-3-6-17(7-4-15)16(19)14-5-8-21-11-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3/t12-,13+
InChIKeyWJXTVDICWTVXEI-BETUJISGSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70776536
(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-thiophen-3-ylmethanone
CID 110196117
6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 70743743
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99878132
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 56896554
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 70732293) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone is C[C@@H]1CN(C2CCN(C(=O)c3ccsc3)CC2)C[C@H](C)O1.
What is the InChIKey of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WJXTVDICWTVXEI-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-9-18(10-13(2)20-12)15-3-6-17(7-4-15)16(19)14-5-8-21-11-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3/t12-,13+.
What are the key properties of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 308.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 70732293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).