N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C20H25ClN2O2 — CID 119320245

IUPACN-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-6-2-4-8-18(15)24-19-9-5-3-7-17(19)14-22-20(23)16-10-12-21-13-11-16;/h2-9,16,21H,10-14H2,1H3,(H,22,23);1H
InChIKeyKVPICBLEFAZVJU-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.82
Rot. Bonds5

About N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride

N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119320245) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119320245
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-6-2-4-8-18(15)24-19-9-5-3-7-17(19)14-22-20(23)16-10-12-21-13-11-16;/h2-9,16,21H,10-14H2,1H3,(H,22,23);1H
InChIKeyKVPICBLEFAZVJU-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
CID 119323072
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320171
N-benzylpiperidine-4-carboxamide
CID 3868064
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[[2-(2-fluorophenoxy)phenyl]methyl]oxane-4-carboxamide
CID 56782987
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119320245) is N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is Cc1ccccc1Oc1ccccc1CNC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KVPICBLEFAZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15-6-2-4-8-18(15)24-19-9-5-3-7-17(19)14-22-20(23)16-10-12-21-13-11-16;/h2-9,16,21H,10-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119320245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).