N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C14H19Cl2FN2O — CID 119343651

IUPACN-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-9(13-11(15)5-2-6-12(13)16)18-14(19)10-4-3-7-17-8-10;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyIYNDJFWEOPZSFI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119343651) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119343651
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-9(13-11(15)5-2-6-12(13)16)18-14(19)10-4-3-7-17-8-10;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyIYNDJFWEOPZSFI-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119343651) is N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)c1c(F)cccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IYNDJFWEOPZSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c1-9(13-11(15)5-2-6-12(13)16)18-14(19)10-4-3-7-17-8-10;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119343651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).