2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

C17H27ClFN3O — CID 119929420

IUPAC2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC1CCCNC1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-2-21(12-15-4-3-9-19-10-15)13-17(22)20-11-14-5-7-16(18)8-6-14;/h5-8,15,19H,2-4,9-13H2,1H3,(H,20,22);1H
InChIKeyKLNZEKPUSVMQLG-UHFFFAOYSA-N
MW343.87 g/mol
LogP2.19
Rot. Bonds7

About 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride

2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 119929420) has the molecular formula C17H27ClFN3O and a molecular weight of 343.87 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID119929420
Molecular FormulaC17H27ClFN3O
Molecular Weight343.87 g/mol
Exact Mass343.18
IUPAC Name2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC1CCCNC1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-2-21(12-15-4-3-9-19-10-15)13-17(22)20-11-14-5-7-16(18)8-6-14;/h5-8,15,19H,2-4,9-13H2,1H3,(H,20,22);1H
InChIKeyKLNZEKPUSVMQLG-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;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-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N-(furan-2-ylmethyl)-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640892
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride (CID 119929420) is 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride is CCN(CC(=O)NCc1ccc(F)cc1)CC1CCCNC1.Cl.
What is the InChIKey of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is KLNZEKPUSVMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.ClH/c1-2-21(12-15-4-3-9-19-10-15)13-17(22)20-11-14-5-7-16(18)8-6-14;/h5-8,15,19H,2-4,9-13H2,1H3,(H,20,22);1H.
What are the key properties of 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride?
2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 343.87 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119929420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).