N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

C15H23BrClN3O2S — CID 119520209

IUPACN-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C15H22BrN3O2S.ClH/c1-9(17)11-5-7-19(8-6-11)15(21)10(2)18-14(20)12-3-4-13(16)22-12;/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,20);1H
InChIKeyFTGKPRYZEWVPJC-UHFFFAOYSA-N
MW424.79 g/mol
LogP2.64
Rot. Bonds4

About N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride

N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119520209) has the molecular formula C15H23BrClN3O2S and a molecular weight of 424.79 g/mol. Its IUPAC name is N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119520209
Molecular FormulaC15H23BrClN3O2S
Molecular Weight424.79 g/mol
Exact Mass423.04
IUPAC NameN-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C15H22BrN3O2S.ClH/c1-9(17)11-5-7-19(8-6-11)15(21)10(2)18-14(20)12-3-4-13(16)22-12;/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,20);1H
InChIKeyFTGKPRYZEWVPJC-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55823915
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride (CID 119520209) is N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is FTGKPRYZEWVPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2S.ClH/c1-9(17)11-5-7-19(8-6-11)15(21)10(2)18-14(20)12-3-4-13(16)22-12;/h3-4,9-11H,5-8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride?
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 424.79 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119520209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).