N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride

C20H26ClN3O2S — CID 119397160

IUPACN-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1.Cl
InChIInChI=1S/C20H25N3O2S.ClH/c1-21-12-16-4-2-10-23(14-16)20(25)17-8-6-15(7-9-17)13-22-19(24)18-5-3-11-26-18;/h3,5-9,11,16,21H,2,4,10,12-14H2,1H3,(H,22,24);1H
InChIKeyOMOIEECIVBUVCY-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride

N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119397160) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119397160
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC NameN-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1.Cl
InChIInChI=1S/C20H25N3O2S.ClH/c1-21-12-16-4-2-10-23(14-16)20(25)17-8-6-15(7-9-17)13-22-19(24)18-5-3-11-26-18;/h3,5-9,11,16,21H,2,4,10,12-14H2,1H3,(H,22,24);1H
InChIKeyOMOIEECIVBUVCY-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
CID 49401377
N-[[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 136529433
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
(2R,3R)-2-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122115454
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119397586
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
5-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122118715
N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119397904
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride (CID 119397160) is N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride is CNCC1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1.Cl.
What is the InChIKey of N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is OMOIEECIVBUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S.ClH/c1-21-12-16-4-2-10-23(14-16)20(25)17-8-6-15(7-9-17)13-22-19(24)18-5-3-11-26-18;/h3,5-9,11,16,21H,2,4,10,12-14H2,1H3,(H,22,24);1H.
What are the key properties of N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride?
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 407.97 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119397160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).