N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C15H22ClFN2O2 — CID 119292600

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(12-9-11(16)6-7-14(12)20-2)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H
InChIKeyNUKIJEBBXFKGDV-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119292600) has the molecular formula C15H22ClFN2O2 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119292600
Molecular FormulaC15H22ClFN2O2
Molecular Weight316.80 g/mol
Exact Mass316.14
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(F)cc1C(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H21FN2O2.ClH/c1-10(12-9-11(16)6-7-14(12)20-2)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H
InChIKeyNUKIJEBBXFKGDV-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43712314
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119292600) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(F)cc1C(C)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NUKIJEBBXFKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2.ClH/c1-10(12-9-11(16)6-7-14(12)20-2)18-15(19)13-5-3-4-8-17-13;/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 316.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119292600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).