3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C17H26N2O3 — CID 90505512

IUPAC3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCCc2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O3/c1-21-13-15-4-3-11-19(12-15)17(20)18-10-9-14-5-7-16(22-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyJNHSYYQVTIFGMX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.31
Rot. Bonds6

About 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 90505512) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID90505512
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOCC1CCCN(C(=O)NCCc2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O3/c1-21-13-15-4-3-11-19(12-15)17(20)18-10-9-14-5-7-16(22-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyJNHSYYQVTIFGMX-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
(3R)-3-(3-cyanopyrazin-2-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 100652570
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 90505512) is 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COCC1CCCN(C(=O)NCCc2ccc(OC)cc2)C1.
What is the InChIKey of 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is JNHSYYQVTIFGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-13-15-4-3-11-19(12-15)17(20)18-10-9-14-5-7-16(22-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 90505512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).