N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C21H26Cl2N2O3 — CID 119800235

IUPACN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccccc2COc2ccccc2Cl)CCNCC1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-26-21(10-12-23-13-11-21)20(25)24-14-16-6-2-3-7-17(16)15-27-19-9-5-4-8-18(19)22;/h2-9,23H,10-15H2,1H3,(H,24,25);1H
InChIKeyFDHLVERDZXZVNH-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.73
Rot. Bonds7

About N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119800235) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119800235
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC NameN-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccccc2COc2ccccc2Cl)CCNCC1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-26-21(10-12-23-13-11-21)20(25)24-14-16-6-2-3-7-17(16)15-27-19-9-5-4-8-18(19)22;/h2-9,23H,10-15H2,1H3,(H,24,25);1H
InChIKeyFDHLVERDZXZVNH-UHFFFAOYSA-N
XLogP3.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119838766
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119755232
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119800235) is N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2ccccc2COc2ccccc2Cl)CCNCC1.Cl.
What is the InChIKey of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is FDHLVERDZXZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3.ClH/c1-26-21(10-12-23-13-11-21)20(25)24-14-16-6-2-3-7-17(16)15-27-19-9-5-4-8-18(19)22;/h2-9,23H,10-15H2,1H3,(H,24,25);1H.
What are the key properties of N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119800235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).