N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride

C14H22ClN3O2S — CID 119489478

IUPACN-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10(18)16-8-12-5-6-13(20-12)14(19)17-7-3-4-11(9-17)15-2;/h5-6,11,15H,3-4,7-9H2,1-2H3,(H,16,18);1H
InChIKeyZYANAAJYUZHXFF-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.63
Rot. Bonds4

About N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 119489478) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID119489478
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10(18)16-8-12-5-6-13(20-12)14(19)17-7-3-4-11(9-17)15-2;/h5-6,11,15H,3-4,7-9H2,1-2H3,(H,16,18);1H
InChIKeyZYANAAJYUZHXFF-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(oxolan-2-yl)morpholine-4-carbonyl]thiophen-2-yl]methyl]acetamide
CID 71921171
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
N-[[5-[(2R,3R)-2-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 124726006
N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 95613180
N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 56779315
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
(2S,3aS,7aS)-1-[5-(acetamidomethyl)thiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124682007
(2S,3aR,7aR)-1-[5-(acetamidomethyl)thiophene-2-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125153595
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 62536195

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride (CID 119489478) is N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1.Cl.
What is the InChIKey of N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is ZYANAAJYUZHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.ClH/c1-10(18)16-8-12-5-6-13(20-12)14(19)17-7-3-4-11(9-17)15-2;/h5-6,11,15H,3-4,7-9H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119489478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).