2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

C15H25BrClN3OS — CID 120774190

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H24BrN3OS.ClH/c1-15(2)10-19(5-4-13(15)17)8-14(20)18(3)7-12-6-11(16)9-21-12;/h6,9,13H,4-5,7-8,10,17H2,1-3H3;1H
InChIKeyBUCHSUNXNSZQQI-UHFFFAOYSA-N
MW410.81 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 120774190) has the molecular formula C15H25BrClN3OS and a molecular weight of 410.81 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
PubChem CID120774190
Molecular FormulaC15H25BrClN3OS
Molecular Weight410.81 g/mol
Exact Mass409.06
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H24BrN3OS.ClH/c1-15(2)10-19(5-4-13(15)17)8-14(20)18(3)7-12-6-11(16)9-21-12;/h6,9,13H,4-5,7-8,10,17H2,1-3H3;1H
InChIKeyBUCHSUNXNSZQQI-UHFFFAOYSA-N
XLogP2.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (CID 120774190) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1cc(Br)cs1)C(=O)CN1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is BUCHSUNXNSZQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS.ClH/c1-15(2)10-19(5-4-13(15)17)8-14(20)18(3)7-12-6-11(16)9-21-12;/h6,9,13H,4-5,7-8,10,17H2,1-3H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 410.81 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120774190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).