N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C17H28Cl2FN3O2 — CID 119896389

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCN(C)Cc2ccc(F)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H26FN3O2.2ClH/c1-21(13-14-3-5-15(18)6-4-14)12-11-20-16(22)17(23-2)7-9-19-10-8-17;;/h3-6,19H,7-13H2,1-2H3,(H,20,22);2*1H
InChIKeyCSTUMOSJFIPWMA-UHFFFAOYSA-N
MW396.33 g/mol
LogP1.99
Rot. Bonds7

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119896389) has the molecular formula C17H28Cl2FN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119896389
Molecular FormulaC17H28Cl2FN3O2
Molecular Weight396.33 g/mol
Exact Mass395.15
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCN(C)Cc2ccc(F)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H26FN3O2.2ClH/c1-21(13-14-3-5-15(18)6-4-14)12-11-20-16(22)17(23-2)7-9-19-10-8-17;;/h3-6,19H,7-13H2,1-2H3,(H,20,22);2*1H
InChIKeyCSTUMOSJFIPWMA-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119850677
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119896389) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCCN(C)Cc2ccc(F)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is CSTUMOSJFIPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2.2ClH/c1-21(13-14-3-5-15(18)6-4-14)12-11-20-16(22)17(23-2)7-9-19-10-8-17;;/h3-6,19H,7-13H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 396.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119896389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).