N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride

C20H25ClN2O2 — CID 119323699

IUPACN-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(COc2cccc(NC(=O)C3CCCNC3)c2)c1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-5-2-6-16(11-15)14-24-19-9-3-8-18(12-19)22-20(23)17-7-4-10-21-13-17;/h2-3,5-6,8-9,11-12,17,21H,4,7,10,13-14H2,1H3,(H,22,23);1H
InChIKeyVGXLFIMAXOEQOS-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119323699) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119323699
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(COc2cccc(NC(=O)C3CCCNC3)c2)c1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-15-5-2-6-16(11-15)14-24-19-9-3-8-18(12-19)22-20(23)17-7-4-10-21-13-17;/h2-3,5-6,8-9,11-12,17,21H,4,7,10,13-14H2,1H3,(H,22,23);1H
InChIKeyVGXLFIMAXOEQOS-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773817
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119323699) is N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride is Cc1cccc(COc2cccc(NC(=O)C3CCCNC3)c2)c1.Cl.
What is the InChIKey of N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is VGXLFIMAXOEQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-15-5-2-6-16(11-15)14-24-19-9-3-8-18(12-19)22-20(23)17-7-4-10-21-13-17;/h2-3,5-6,8-9,11-12,17,21H,4,7,10,13-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119323699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).