N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide

C17H26N2O4 — CID 120618116

IUPACN-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(COC)CCNCC2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-4-23-14-6-5-13(11-15(14)22-3)19-16(20)17(12-21-2)7-9-18-10-8-17/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20)
InChIKeyNQDUWNJMFRRUBG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.05
Rot. Bonds7

About N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120618116) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120618116
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(COC)CCNCC2)cc1OC
InChIInChI=1S/C17H26N2O4/c1-4-23-14-6-5-13(11-15(14)22-3)19-16(20)17(12-21-2)7-9-18-10-8-17/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20)
InChIKeyNQDUWNJMFRRUBG-UHFFFAOYSA-N
XLogP2.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 120618116) is N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2(COC)CCNCC2)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is NQDUWNJMFRRUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-23-14-6-5-13(11-15(14)22-3)19-16(20)17(12-21-2)7-9-18-10-8-17/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120618116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).