methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride

C16H23ClN2O5 — CID 119265013

IUPACmethyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H22N2O5.ClH/c1-21-13-7-11(16(20)23-3)12(8-14(13)22-2)18-15(19)10-5-4-6-17-9-10;/h7-8,10,17H,4-6,9H2,1-3H3,(H,18,19);1H
InChIKeySKXKTZLXQSRSIH-UHFFFAOYSA-N
MW358.82 g/mol
LogP1.85
Rot. Bonds5

About methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride

methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride (PubChem CID 119265013) has the molecular formula C16H23ClN2O5 and a molecular weight of 358.82 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
PubChem CID119265013
Molecular FormulaC16H23ClN2O5
Molecular Weight358.82 g/mol
Exact Mass358.13
IUPAC Namemethyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H22N2O5.ClH/c1-21-13-7-11(16(20)23-3)12(8-14(13)22-2)18-15(19)10-5-4-6-17-9-10;/h7-8,10,17H,4-6,9H2,1-3H3,(H,18,19);1H
InChIKeySKXKTZLXQSRSIH-UHFFFAOYSA-N
XLogP1.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
(2-amino-2-oxoethyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate
CID 7812130
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride?
The IUPAC name of methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride (CID 119265013) is methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCNC1.Cl.
What is the InChIKey of methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride?
The InChIKey is SKXKTZLXQSRSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5.ClH/c1-21-13-7-11(16(20)23-3)12(8-14(13)22-2)18-15(19)10-5-4-6-17-9-10;/h7-8,10,17H,4-6,9H2,1-3H3,(H,18,19);1H.
What are the key properties of methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride?
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride has a molecular weight of 358.82 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride is sourced from PubChem (CID 119265013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).