4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide

C17H26N2O2 — CID 114428577

IUPAC4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cccc(COC)c2)C1
InChIInChI=1S/C17H26N2O2/c1-3-13-7-8-18-16(10-13)17(20)19-11-14-5-4-6-15(9-14)12-21-2/h4-6,9,13,16,18H,3,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyYLIJMOXTPUIVJD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds6

About 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide

4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 114428577) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID114428577
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCc2cccc(COC)c2)C1
InChIInChI=1S/C17H26N2O2/c1-3-13-7-8-18-16(10-13)17(20)19-11-14-5-4-6-15(9-14)12-21-2/h4-6,9,13,16,18H,3,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyYLIJMOXTPUIVJD-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

4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
(3-chlorophenyl)methyl 4-ethylpiperidine-2-carboxylate
CID 114430091
N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428687
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 114428574

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide (CID 114428577) is 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)NCc2cccc(COC)c2)C1.
What is the InChIKey of 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is YLIJMOXTPUIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-13-7-8-18-16(10-13)17(20)19-11-14-5-4-6-15(9-14)12-21-2/h4-6,9,13,16,18H,3,7-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide?
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-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 4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114428577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).