2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide

C15H24BrN3OS — CID 38065184

IUPAC2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3OS/c1-2-5-17-15(20)10-19-6-3-13(4-7-19)18-9-12-8-14(16)21-11-12/h8,11,13,18H,2-7,9-10H2,1H3,(H,17,20)
InChIKeyDPMWATGJKFIYAE-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.59
Rot. Bonds7

About 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide

2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide (PubChem CID 38065184) has the molecular formula C15H24BrN3OS and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
PubChem CID38065184
Molecular FormulaC15H24BrN3OS
Molecular Weight374.35 g/mol
Exact Mass373.08
IUPAC Name2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C15H24BrN3OS/c1-2-5-17-15(20)10-19-6-3-13(4-7-19)18-9-12-8-14(16)21-11-12/h8,11,13,18H,2-7,9-10H2,1H3,(H,17,20)
InChIKeyDPMWATGJKFIYAE-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951
2-[4-[2-(4-tert-butylphenyl)ethylamino]piperidin-1-yl]-N-propylacetamide
CID 131963012
2-[4-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111978061
N-[(5-bromothiophen-3-yl)methyl]azetidin-3-amine
CID 130941284
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55842838
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide (CID 38065184) is 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(NCc2csc(Br)c2)CC1.
What is the InChIKey of 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is DPMWATGJKFIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS/c1-2-5-17-15(20)10-19-6-3-13(4-7-19)18-9-12-8-14(16)21-11-12/h8,11,13,18H,2-7,9-10H2,1H3,(H,17,20).
What are the key properties of 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 374.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-3-yl)methylamino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 38065184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).