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

C16H25ClN2O4 — CID 119705016

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2(OC)CCNCC2)ccc1O.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-18(11-12-4-5-13(19)14(10-12)21-2)15(20)16(22-3)6-8-17-9-7-16;/h4-5,10,17,19H,6-9,11H2,1-3H3;1H
InChIKeyKAOJPCSDVWFWMF-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.55
Rot. Bonds5

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

N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119705016) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119705016
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(CN(C)C(=O)C2(OC)CCNCC2)ccc1O.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-18(11-12-4-5-13(19)14(10-12)21-2)15(20)16(22-3)6-8-17-9-7-16;/h4-5,10,17,19H,6-9,11H2,1-3H3;1H
InChIKeyKAOJPCSDVWFWMF-UHFFFAOYSA-N
XLogP1.55
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120625054
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 119681705
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119705016) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is COc1cc(CN(C)C(=O)C2(OC)CCNCC2)ccc1O.Cl.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KAOJPCSDVWFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-18(11-12-4-5-13(19)14(10-12)21-2)15(20)16(22-3)6-8-17-9-7-16;/h4-5,10,17,19H,6-9,11H2,1-3H3;1H.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).