N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119320836

IUPACN-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)C2CCCNC2)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-13-9-15(22-2)14(16(10-13)23-3)6-8-19-17(20)12-5-4-7-18-11-12;/h9-10,12,18H,4-8,11H2,1-3H3,(H,19,20);1H
InChIKeyPKQXHUCENQOOEM-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119320836) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119320836
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)C2CCCNC2)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-13-9-15(22-2)14(16(10-13)23-3)6-8-19-17(20)12-5-4-7-18-11-12;/h9-10,12,18H,4-8,11H2,1-3H3,(H,19,20);1H
InChIKeyPKQXHUCENQOOEM-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]azetidine-3-carboxamide
CID 115159032
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119312699

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119320836) is N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is COc1cc(OC)c(CCNC(=O)C2CCCNC2)c(OC)c1.Cl.
What is the InChIKey of N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PKQXHUCENQOOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-21-13-9-15(22-2)14(16(10-13)23-3)6-8-19-17(20)12-5-4-7-18-11-12;/h9-10,12,18H,4-8,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119320836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).