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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Related Compounds

1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
1-(5-bromothiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66392648
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 102736044
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634141
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
CID 114677962
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626

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).