[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride

C19H23ClN2O2S — CID 119398089

IUPAC[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-20-12-14-6-4-10-21(13-14)19(23)16-8-3-2-7-15(16)18(22)17-9-5-11-24-17;/h2-3,5,7-9,11,14,20H,4,6,10,12-13H2,1H3;1H
InChIKeyXJXPMHFRWGZHEV-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.47
Rot. Bonds5

About [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride

[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride (PubChem CID 119398089) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
PubChem CID119398089
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-20-12-14-6-4-10-21(13-14)19(23)16-8-3-2-7-15(16)18(22)17-9-5-11-24-17;/h2-3,5,7-9,11,14,20H,4,6,10,12-13H2,1H3;1H
InChIKeyXJXPMHFRWGZHEV-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119397586
[2-(3-methylpiperazine-1-carbonyl)phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119579880
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 9489927
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206369
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride (CID 119398089) is [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride is CNCC1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1.Cl.
What is the InChIKey of [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is XJXPMHFRWGZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S.ClH/c1-20-12-14-6-4-10-21(13-14)19(23)16-8-3-2-7-15(16)18(22)17-9-5-11-24-17;/h2-3,5,7-9,11,14,20H,4,6,10,12-13H2,1H3;1H.
What are the key properties of [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride?
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119398089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).