N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 119438632

IUPACN-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(2)10-8-14;;/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20);2*1H
InChIKeyZCBYPNIQQZXDGX-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.92
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride

N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 119438632) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID119438632
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(2)10-8-14;;/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20);2*1H
InChIKeyZCBYPNIQQZXDGX-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride (CID 119438632) is N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride is CCNCc1cccc(NC(=O)C2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is ZCBYPNIQQZXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(2)10-8-14;;/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119438632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).