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

C17H27ClFN3O — CID 119929420

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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