[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C18H28N2O2S — CID 95159159

IUPAC[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)s1
InChIInChI=1S/C18H28N2O2S/c1-13-10-19(11-14(2)22-13)12-16-6-8-20(9-7-16)18(21)17-5-4-15(3)23-17/h4-5,13-14,16H,6-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyMLSXBDSCIYSZFT-ZIAGYGMSSA-N
MW336.50 g/mol
LogP3.02
Rot. Bonds3

About [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 95159159) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID95159159
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)s1
InChIInChI=1S/C18H28N2O2S/c1-13-10-19(11-14(2)22-13)12-16-6-8-20(9-7-16)18(21)17-5-4-15(3)23-17/h4-5,13-14,16H,6-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyMLSXBDSCIYSZFT-ZIAGYGMSSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 95159159) is [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)s1.
What is the InChIKey of [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is MLSXBDSCIYSZFT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13-10-19(11-14(2)22-13)12-16-6-8-20(9-7-16)18(21)17-5-4-15(3)23-17/h4-5,13-14,16H,6-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 336.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 95159159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).