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

C18H30ClN3O — CID 120774297

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)C(C)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-5-14-6-8-15(9-7-14)20-17(22)13(2)21-11-10-16(19)18(3,4)12-21;/h6-9,13,16H,5,10-12,19H2,1-4H3,(H,20,22);1H
InChIKeyPWGIRUQVHXLIIN-UHFFFAOYSA-N
MW339.91 g/mol
LogP3.06
Rot. Bonds4

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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride (PubChem CID 120774297) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
PubChem CID120774297
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)C(C)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-5-14-6-8-15(9-7-14)20-17(22)13(2)21-11-10-16(19)18(3,4)12-21;/h6-9,13,16H,5,10-12,19H2,1-4H3,(H,20,22);1H
InChIKeyPWGIRUQVHXLIIN-UHFFFAOYSA-N
XLogP3.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120775605
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120775076
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
CID 120775148
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride (CID 120774297) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride is CCc1ccc(NC(=O)C(C)N2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride?
The InChIKey is PWGIRUQVHXLIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-5-14-6-8-15(9-7-14)20-17(22)13(2)21-11-10-16(19)18(3,4)12-21;/h6-9,13,16H,5,10-12,19H2,1-4H3,(H,20,22);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120774297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).