3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride

C21H30ClN3O2S — CID 135240428

IUPAC3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCN(C)CC1CN(CCc2ccsc2)CCC1(O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C21H29N3O2S.ClH/c1-23(2)13-19-14-24(9-6-16-7-11-27-15-16)10-8-21(19,26)18-5-3-4-17(12-18)20(22)25;/h3-5,7,11-12,15,19,26H,6,8-10,13-14H2,1-2H3,(H2,22,25);1H
InChIKeyFXDJYUVGQRWNKA-UHFFFAOYSA-N
MW424.01 g/mol
LogP2.58
Rot. Bonds7

About 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride

3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 135240428) has the molecular formula C21H30ClN3O2S and a molecular weight of 424.01 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID135240428
Molecular FormulaC21H30ClN3O2S
Molecular Weight424.01 g/mol
Exact Mass423.17
IUPAC Name3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCN(C)CC1CN(CCc2ccsc2)CCC1(O)c1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C21H29N3O2S.ClH/c1-23(2)13-19-14-24(9-6-16-7-11-27-15-16)10-8-21(19,26)18-5-3-4-17(12-18)20(22)25;/h3-5,7,11-12,15,19,26H,6,8-10,13-14H2,1-2H3,(H2,22,25);1H
InChIKeyFXDJYUVGQRWNKA-UHFFFAOYSA-N
XLogP2.58
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;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

3-[(4R)-3-[(dimethylamino)methyl]-1-[3-(5-fluoro-3-pyridinyl)propyl]-4-hydroxypiperidin-4-yl]benzamide
CID 142404035
3-[(3R,4R)-1-[3-(2-chloro-4-fluorophenyl)propyl]-3-[(dimethylamino)methyl]-4-hydroxypiperidin-4-yl]benzamide;hydrochloride
CID 135240740
3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]benzonitrile
CID 146223858
1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
CID 141444113
3-[(3S,4S)-1-[2-[3-(1-hydroxycyclohexyl)phenyl]ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11351026
3-[1-[2-(4-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11187573
3-[1-[2-(3-cyanophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11302909
3-[2-chloro-3-[(dimethylamino)methyl]-2-(4-fluorophenyl)-4-hydroxy-1-propylpiperidin-4-yl]benzamide
CID 135240753
(3S,4R)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylic acid
CID 175115772
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
3-[1-[3-(1-hydroxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
CID 11199610
3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)-N-thiophen-2-ylpiperidine-1-carboxamide
CID 156703404

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride (CID 135240428) is 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride is CN(C)CC1CN(CCc2ccsc2)CCC1(O)c1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is FXDJYUVGQRWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S.ClH/c1-23(2)13-19-14-24(9-6-16-7-11-27-15-16)10-8-21(19,26)18-5-3-4-17(12-18)20(22)25;/h3-5,7,11-12,15,19,26H,6,8-10,13-14H2,1-2H3,(H2,22,25);1H.
What are the key properties of 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride?
3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 424.01 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 135240428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).