N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

C17H26N2O2 — CID 63130668

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-3-21-12-15-8-5-4-7-14(15)11-19-16(20)17(2)9-6-10-18-13-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3,(H,19,20)
InChIKeyWAJSTTUZMIICEV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 63130668) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID63130668
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-3-21-12-15-8-5-4-7-14(15)11-19-16(20)17(2)9-6-10-18-13-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3,(H,19,20)
InChIKeyWAJSTTUZMIICEV-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (CID 63130668) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is CCOCc1ccccc1CNC(=O)C1(C)CCCNC1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is WAJSTTUZMIICEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-12-15-8-5-4-7-14(15)11-19-16(20)17(2)9-6-10-18-13-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).