N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119267767

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)C2CCCCN2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-22-16-10-9-14(12-17(16)23-5-2)13(3)20-18(21)15-8-6-7-11-19-15;/h9-10,12-13,15,19H,4-8,11H2,1-3H3,(H,20,21);1H
InChIKeyZNEGZUISFNUJFE-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119267767) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119267767
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)C2CCCCN2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-22-16-10-9-14(12-17(16)23-5-2)13(3)20-18(21)15-8-6-7-11-19-15;/h9-10,12-13,15,19H,4-8,11H2,1-3H3,(H,20,21);1H
InChIKeyZNEGZUISFNUJFE-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119276718
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119267767) is N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is CCOc1ccc(C(C)NC(=O)C2CCCCN2)cc1OCC.Cl.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZNEGZUISFNUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-22-16-10-9-14(12-17(16)23-5-2)13(3)20-18(21)15-8-6-7-11-19-15;/h9-10,12-13,15,19H,4-8,11H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119267767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).