N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide

C13H19BrN2O2S — CID 63876041

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)COC1CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-16(7-12-6-10(14)9-19-12)13(17)8-18-11-2-4-15-5-3-11/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyZFBHESUXKFBKDC-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.24
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide (PubChem CID 63876041) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
PubChem CID63876041
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)COC1CCNCC1
InChIInChI=1S/C13H19BrN2O2S/c1-16(7-12-6-10(14)9-19-12)13(17)8-18-11-2-4-15-5-3-11/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyZFBHESUXKFBKDC-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide (CID 63876041) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide is CN(Cc1cc(Br)cs1)C(=O)COC1CCNCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
The InChIKey is ZFBHESUXKFBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(7-12-6-10(14)9-19-12)13(17)8-18-11-2-4-15-5-3-11/h6,9,11,15H,2-5,7-8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide has a molecular weight of 347.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63876041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).