N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119714589

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-4-23-14-6-5-13(11-15(14)21-2)12-19-16(20)17(22-3)7-9-18-10-8-17;/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20);1H
InChIKeyREIOSSCMMFYDBZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.90
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119714589) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119714589
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-4-23-14-6-5-13(11-15(14)21-2)12-19-16(20)17(22-3)7-9-18-10-8-17;/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20);1H
InChIKeyREIOSSCMMFYDBZ-UHFFFAOYSA-N
XLogP1.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119677415
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119786413
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119714589) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is CCOc1ccc(CNC(=O)C2(OC)CCNCC2)cc1OC.Cl.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is REIOSSCMMFYDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-4-23-14-6-5-13(11-15(14)21-2)12-19-16(20)17(22-3)7-9-18-10-8-17;/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.90, 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)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119714589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).