[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

C21H28N2O2S — CID 45174885

IUPAC[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(N(C)CCc3ccccc3)C2)s1
InChIInChI=1S/C21H28N2O2S/c1-22(14-12-17-7-4-3-5-8-17)18-9-6-13-23(15-18)21(24)20-11-10-19(26-20)16-25-2/h3-5,7-8,10-11,18H,6,9,12-16H2,1-2H3
InChIKeyFCJBJQPMWUMYIL-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.67
Rot. Bonds7

About [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (PubChem CID 45174885) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
PubChem CID45174885
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(N(C)CCc3ccccc3)C2)s1
InChIInChI=1S/C21H28N2O2S/c1-22(14-12-17-7-4-3-5-8-17)18-9-6-13-23(15-18)21(24)20-11-10-19(26-20)16-25-2/h3-5,7-8,10-11,18H,6,9,12-16H2,1-2H3
InChIKeyFCJBJQPMWUMYIL-UHFFFAOYSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (CID 45174885) is [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCCC(N(C)CCc3ccccc3)C2)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The InChIKey is FCJBJQPMWUMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-22(14-12-17-7-4-3-5-8-17)18-9-6-13-23(15-18)21(24)20-11-10-19(26-20)16-25-2/h3-5,7-8,10-11,18H,6,9,12-16H2,1-2H3.
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
[5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone has a molecular weight of 372.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 45174885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).