(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C12H18N2O2S — CID 124572642

IUPAC(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cc(OC)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11/h6,8-9,13H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyCMRFRTIXFNFPQN-SECBINFHSA-N
MW254.35 g/mol
LogP1.58
Rot. Bonds3

About (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124572642) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124572642
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cc(OC)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11/h6,8-9,13H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyCMRFRTIXFNFPQN-SECBINFHSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124572642) is (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2cc(OC)cs2)C1.
What is the InChIKey of (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is CMRFRTIXFNFPQN-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11/h6,8-9,13H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 254.35 g/mol, XLogP of 1.58, 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)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124572642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).