(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C12H19ClN2O2S — CID 119491500

IUPAC(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(OC)cs2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11;/h6,8-9,13H,3-5,7H2,1-2H3;1H
InChIKeyQUOCPYVTNIWEDW-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.00
Rot. Bonds3

About (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491500) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491500
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(OC)cs2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11;/h6,8-9,13H,3-5,7H2,1-2H3;1H
InChIKeyQUOCPYVTNIWEDW-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
N-(1-benzoylpiperidin-3-yl)-4-methoxythiophene-2-carboxamide
CID 75375952
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
CID 79465235
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491500) is (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(OC)cs2)C1.Cl.
What is the InChIKey of (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is QUOCPYVTNIWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-13-9-4-3-5-14(7-9)12(15)11-6-10(16-2)8-17-11;/h6,8-9,13H,3-5,7H2,1-2H3;1H.
What are the key properties of (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).