N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride

C17H27ClN2O4 — CID 120625054

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2ccc(OC)c(O)c2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(11-13-4-5-15(23-3)14(20)10-13)16(21)17(12-22-2)6-8-18-9-7-17;/h4-5,10,18,20H,6-9,11-12H2,1-3H3;1H
InChIKeyLSQWWQMSYFZTBC-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.80
Rot. Bonds6

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride

N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120625054) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120625054
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2ccc(OC)c(O)c2)CCNCC1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(11-13-4-5-15(23-3)14(20)10-13)16(21)17(12-22-2)6-8-18-9-7-17;/h4-5,10,18,20H,6-9,11-12H2,1-3H3;1H
InChIKeyLSQWWQMSYFZTBC-UHFFFAOYSA-N
XLogP1.80
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120617386
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119705016
4-(aminomethyl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyloxane-4-carboxamide
CID 120927235
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
CID 120635543
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120623439
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624881
(3S)-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 125147439

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (CID 120625054) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is COCC1(C(=O)N(C)Cc2ccc(OC)c(O)c2)CCNCC1.Cl.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LSQWWQMSYFZTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-19(11-13-4-5-15(23-3)14(20)10-13)16(21)17(12-22-2)6-8-18-9-7-17;/h4-5,10,18,20H,6-9,11-12H2,1-3H3;1H.
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).