2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride

C18H29ClFN3O — CID 120775076

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(C(=O)NCCc1ccc(F)cc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H28FN3O.ClH/c1-13(22-11-9-16(20)18(2,3)12-22)17(23)21-10-8-14-4-6-15(19)7-5-14;/h4-7,13,16H,8-12,20H2,1-3H3,(H,21,23);1H
InChIKeyIOJWOGLGTUWJKZ-UHFFFAOYSA-N
MW357.90 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride (PubChem CID 120775076) has the molecular formula C18H29ClFN3O and a molecular weight of 357.90 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
PubChem CID120775076
Molecular FormulaC18H29ClFN3O
Molecular Weight357.90 g/mol
Exact Mass357.20
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(C(=O)NCCc1ccc(F)cc1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H28FN3O.ClH/c1-13(22-11-9-16(20)18(2,3)12-22)17(23)21-10-8-14-4-6-15(19)7-5-14;/h4-7,13,16H,8-12,20H2,1-3H3,(H,21,23);1H
InChIKeyIOJWOGLGTUWJKZ-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 120760922
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
CID 92762958
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-cyclohexylpropanamide
CID 120775751

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride (CID 120775076) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride is CC(C(=O)NCCc1ccc(F)cc1)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is IOJWOGLGTUWJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O.ClH/c1-13(22-11-9-16(20)18(2,3)12-22)17(23)21-10-8-14-4-6-15(19)7-5-14;/h4-7,13,16H,8-12,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 357.90 g/mol, XLogP of 2.35, 5 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-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120775076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).