N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23ClF2N2O2 — CID 119767620

IUPACN-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)C1(OC)CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-3-20(11-12-13(17)5-4-6-14(12)18)15(21)16(22-2)7-9-19-10-8-16;/h4-6,19H,3,7-11H2,1-2H3;1H
InChIKeyCZVWRZXUAIIFIT-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119767620) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119767620
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)C1(OC)CCNCC1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-3-20(11-12-13(17)5-4-6-14(12)18)15(21)16(22-2)7-9-19-10-8-16;/h4-6,19H,3,7-11H2,1-2H3;1H
InChIKeyCZVWRZXUAIIFIT-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-(2-ethoxyethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
CID 119755010
N-(cyclopropylmethyl)-N-ethyl-4-methoxypiperidine-4-carboxamide
CID 119784643
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618338
N-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 119681705
methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 146136314
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
4-methoxy-N,N-dimethylpiperidine-4-carboxamide
CID 84660627

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119767620) is N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride is CCN(Cc1c(F)cccc1F)C(=O)C1(OC)CCNCC1.Cl.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is CZVWRZXUAIIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-3-20(11-12-13(17)5-4-6-14(12)18)15(21)16(22-2)7-9-19-10-8-16;/h4-6,19H,3,7-11H2,1-2H3;1H.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119767620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).