N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C16H25ClFN3O — CID 119916645

IUPACN-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1F)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-12(14-6-2-3-7-15(14)17)20-10-4-5-13(11-20)16(21)19-9-8-18;/h2-3,6-7,12-13H,4-5,8-11,18H2,1H3,(H,19,21);1H
InChIKeyWJCKYEBOFQDRGA-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.10
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119916645) has the molecular formula C16H25ClFN3O and a molecular weight of 329.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119916645
Molecular FormulaC16H25ClFN3O
Molecular Weight329.85 g/mol
Exact Mass329.17
IUPAC NameN-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(c1ccccc1F)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C16H24FN3O.ClH/c1-12(14-6-2-3-7-15(14)17)20-10-4-5-13(11-20)16(21)19-9-8-18;/h2-3,6-7,12-13H,4-5,8-11,18H2,1H3,(H,19,21);1H
InChIKeyWJCKYEBOFQDRGA-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119916721
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CID 63754604
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
N-(2-aminoethyl)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480744
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 119916680
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
N-(2-aminoethyl)-1-(2-bromo-6-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482140
N-(2-aminoethyl)-1-[3-(2-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 119480930

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119916645) is N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(c1ccccc1F)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WJCKYEBOFQDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.ClH/c1-12(14-6-2-3-7-15(14)17)20-10-4-5-13(11-20)16(21)19-9-8-18;/h2-3,6-7,12-13H,4-5,8-11,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).