N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride

C16H25ClFN3O2 — CID 119916755

IUPACN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2.ClH/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18;/h3-6,13H,1-2,7-12,18H2,(H,19,21);1H
InChIKeySRJGFWBIWFTISZ-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.41
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119916755) has the molecular formula C16H25ClFN3O2 and a molecular weight of 345.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119916755
Molecular FormulaC16H25ClFN3O2
Molecular Weight345.85 g/mol
Exact Mass345.16
IUPAC NameN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2.ClH/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18;/h3-6,13H,1-2,7-12,18H2,(H,19,21);1H
InChIKeySRJGFWBIWFTISZ-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
N-(2-aminoethyl)-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 119916827
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
CID 120837363

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119916755) is N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is SRJGFWBIWFTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2.ClH/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18;/h3-6,13H,1-2,7-12,18H2,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119916755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).