N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C17H27Cl2F2N3O2 — CID 119889405

IUPACN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCC(c2c(F)cccc2F)N(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C17H25F2N3O2.2ClH/c1-22(2)14(15-12(18)5-4-6-13(15)19)11-21-16(23)17(24-3)7-9-20-10-8-17;;/h4-6,14,20H,7-11H2,1-3H3,(H,21,23);2*1H
InChIKeyIKHHOZCABHJDIH-UHFFFAOYSA-N
MW414.32 g/mol
LogP2.30
Rot. Bonds6

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

N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119889405) has the molecular formula C17H27Cl2F2N3O2 and a molecular weight of 414.32 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119889405
Molecular FormulaC17H27Cl2F2N3O2
Molecular Weight414.32 g/mol
Exact Mass413.14
IUPAC NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCC(c2c(F)cccc2F)N(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C17H25F2N3O2.2ClH/c1-22(2)14(15-12(18)5-4-6-13(15)19)11-21-16(23)17(24-3)7-9-20-10-8-17;;/h4-6,14,20H,7-11H2,1-3H3,(H,21,23);2*1H
InChIKeyIKHHOZCABHJDIH-UHFFFAOYSA-N
XLogP2.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119850677
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831132
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119889405) is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCC(c2c(F)cccc2F)N(C)C)CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is IKHHOZCABHJDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2.2ClH/c1-22(2)14(15-12(18)5-4-6-13(15)19)11-21-16(23)17(24-3)7-9-20-10-8-17;;/h4-6,14,20H,7-11H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 414.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119889405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).