5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

C14H21BrClN3O2S — CID 119492735

IUPAC5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)C1.Cl
InChIInChI=1S/C14H20BrN3O2S.ClH/c1-9(17-13(19)11-5-6-12(15)21-11)14(20)18-7-3-4-10(8-18)16-2;/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,17,19);1H
InChIKeyRKVUUHFGYVBZFR-UHFFFAOYSA-N
MW410.77 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride

5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119492735) has the molecular formula C14H21BrClN3O2S and a molecular weight of 410.77 g/mol. Its IUPAC name is 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119492735
Molecular FormulaC14H21BrClN3O2S
Molecular Weight410.77 g/mol
Exact Mass409.02
IUPAC Name5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)C1.Cl
InChIInChI=1S/C14H20BrN3O2S.ClH/c1-9(17-13(19)11-5-6-12(15)21-11)14(20)18-7-3-4-10(8-18)16-2;/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,17,19);1H
InChIKeyRKVUUHFGYVBZFR-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168
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-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
5-bromo-N-[1-oxo-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 55822134
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119491118
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119492735) is 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is CNC1CCCN(C(=O)C(C)NC(=O)c2ccc(Br)s2)C1.Cl.
What is the InChIKey of 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is RKVUUHFGYVBZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2S.ClH/c1-9(17-13(19)11-5-6-12(15)21-11)14(20)18-7-3-4-10(8-18)16-2;/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,17,19);1H.
What are the key properties of 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride?
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 410.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).