4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

C18H28N2O5 — CID 120618507

IUPAC4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C18H28N2O5/c1-22-12-18(5-7-19-8-6-18)17(21)20-11-13-9-14(23-2)16(25-4)15(10-13)24-3/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyQYEZKLYHXFGKGL-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.34
Rot. Bonds8

About 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 120618507) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID120618507
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C18H28N2O5/c1-22-12-18(5-7-19-8-6-18)17(21)20-11-13-9-14(23-2)16(25-4)15(10-13)24-3/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyQYEZKLYHXFGKGL-UHFFFAOYSA-N
XLogP1.34
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630974
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 119943959
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
2,2-dichloro-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 46613000
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630988
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 120618507) is 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is COCC1(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QYEZKLYHXFGKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-22-12-18(5-7-19-8-6-18)17(21)20-11-13-9-14(23-2)16(25-4)15(10-13)24-3/h9-10,19H,5-8,11-12H2,1-4H3,(H,20,21).
What are the key properties of 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).