2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride

C16H28ClN3OS — CID 120774618

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCc1cccs1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-12(19-9-7-14(17)16(2,3)11-19)15(20)18-8-6-13-5-4-10-21-13;/h4-5,10,12,14H,6-9,11,17H2,1-3H3,(H,18,20);1H
InChIKeyHKFDBRBIGXLEDK-UHFFFAOYSA-N
MW345.94 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride (PubChem CID 120774618) has the molecular formula C16H28ClN3OS and a molecular weight of 345.94 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
PubChem CID120774618
Molecular FormulaC16H28ClN3OS
Molecular Weight345.94 g/mol
Exact Mass345.16
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCc1cccs1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-12(19-9-7-14(17)16(2,3)11-19)15(20)18-8-6-13-5-4-10-21-13;/h4-5,10,12,14H,6-9,11,17H2,1-3H3,(H,18,20);1H
InChIKeyHKFDBRBIGXLEDK-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120775076
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
2-[3-(ethoxymethyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 56790234
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
CID 120775148

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride (CID 120774618) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride is CC(C(=O)NCCc1cccs1)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
The InChIKey is HKFDBRBIGXLEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.ClH/c1-12(19-9-7-14(17)16(2,3)11-19)15(20)18-8-6-13-5-4-10-21-13;/h4-5,10,12,14H,6-9,11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120774618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).