2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride

C19H27Cl2N3OS — CID 119946151

IUPAC2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)c2ccccc2N)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-14-8-10-22(11-9-14)17(18-7-4-12-24-18)13-21-19(23)15-5-2-3-6-16(15)20;;/h2-7,12,14,17H,8-11,13,20H2,1H3,(H,21,23);2*1H
InChIKeyNIGANSJJSPOFAK-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.38
Rot. Bonds5

About 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride

2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride (PubChem CID 119946151) has the molecular formula C19H27Cl2N3OS and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
PubChem CID119946151
Molecular FormulaC19H27Cl2N3OS
Molecular Weight416.42 g/mol
Exact Mass415.13
IUPAC Name2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)c2ccccc2N)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C19H25N3OS.2ClH/c1-14-8-10-22(11-9-14)17(18-7-4-12-24-18)13-21-19(23)15-5-2-3-6-16(15)20;;/h2-7,12,14,17H,8-11,13,20H2,1H3,(H,21,23);2*1H
InChIKeyNIGANSJJSPOFAK-UHFFFAOYSA-N
XLogP4.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 30524422
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-5-sulfamoylbenzamide
CID 24639911
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride (CID 119946151) is 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride is CC1CCN(C(CNC(=O)c2ccccc2N)c2cccs2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride?
The InChIKey is NIGANSJJSPOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS.2ClH/c1-14-8-10-22(11-9-14)17(18-7-4-12-24-18)13-21-19(23)15-5-2-3-6-16(15)20;;/h2-7,12,14,17H,8-11,13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride?
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride has a molecular weight of 416.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).