2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide

C13H20BrN3OS — CID 79328638

IUPAC2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H20BrN3OS/c1-16(7-10-6-12(14)19-9-10)13(18)8-17-4-2-11(15)3-5-17/h6,9,11H,2-5,7-8,15H2,1H3
InChIKeySQNVQLHKVDMJAW-UHFFFAOYSA-N
MW346.29 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide

2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide (PubChem CID 79328638) has the molecular formula C13H20BrN3OS and a molecular weight of 346.29 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
PubChem CID79328638
Molecular FormulaC13H20BrN3OS
Molecular Weight346.29 g/mol
Exact Mass345.05
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
SMILESCN(Cc1csc(Br)c1)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H20BrN3OS/c1-16(7-10-6-12(14)19-9-10)13(18)8-17-4-2-11(15)3-5-17/h6,9,11H,2-5,7-8,15H2,1H3
InChIKeySQNVQLHKVDMJAW-UHFFFAOYSA-N
XLogP1.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119742244
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 47389277
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 82767513
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 78971404
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120774190

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide (CID 79328638) is 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide is CN(Cc1csc(Br)c1)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide?
The InChIKey is SQNVQLHKVDMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OS/c1-16(7-10-6-12(14)19-9-10)13(18)8-17-4-2-11(15)3-5-17/h6,9,11H,2-5,7-8,15H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide?
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide has a molecular weight of 346.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 79328638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).