(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C13H20N2O2S — CID 115304268

IUPAC(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cc(OC)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(14-2)4-6-15(7-5-13)12(16)11-8-10(17-3)9-18-11/h8-9,14H,4-7H2,1-3H3
InChIKeyAAFRFRPMYTUEGC-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.97
Rot. Bonds3

About (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304268) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304268
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cc(OC)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-13(14-2)4-6-15(7-5-13)12(16)11-8-10(17-3)9-18-11/h8-9,14H,4-7H2,1-3H3
InChIKeyAAFRFRPMYTUEGC-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124596105
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 81127835
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
2-[1-(4-methoxythiophene-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 81127210
2-[4-(4-methoxythiophene-2-carbonyl)piperazin-1-yl]-3-methylbutanenitrile
CID 71865601
methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
CID 79465235
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
2-[4-(4-methoxythiophene-2-carbonyl)piperazin-1-yl]butanethioamide
CID 81121719

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304268) is (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2cc(OC)cs2)CC1.
What is the InChIKey of (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is AAFRFRPMYTUEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(14-2)4-6-15(7-5-13)12(16)11-8-10(17-3)9-18-11/h8-9,14H,4-7H2,1-3H3.
What are the key properties of (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 268.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).