N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide

C15H24BrN3OS — CID 102736048

IUPACN-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(c2ccc(Br)s2)C(C)N)CC1
InChIInChI=1S/C15H24BrN3OS/c1-10(17)15(13-3-4-14(16)21-13)19-7-5-12(6-8-19)9-18-11(2)20/h3-4,10,12,15H,5-9,17H2,1-2H3,(H,18,20)
InChIKeyMOHWOUDSUJMYEA-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736048) has the molecular formula C15H24BrN3OS and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736048
Molecular FormulaC15H24BrN3OS
Molecular Weight374.35 g/mol
Exact Mass373.08
IUPAC NameN-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(c2ccc(Br)s2)C(C)N)CC1
InChIInChI=1S/C15H24BrN3OS/c1-10(17)15(13-3-4-14(16)21-13)19-7-5-12(6-8-19)9-18-11(2)20/h3-4,10,12,15H,5-9,17H2,1-2H3,(H,18,20)
InChIKeyMOHWOUDSUJMYEA-UHFFFAOYSA-N
XLogP2.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide (CID 102736048) is N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(c2ccc(Br)s2)C(C)N)CC1.
What is the InChIKey of N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is MOHWOUDSUJMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS/c1-10(17)15(13-3-4-14(16)21-13)19-7-5-12(6-8-19)9-18-11(2)20/h3-4,10,12,15H,5-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 374.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).