N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide

C18H28N2O3 — CID 119339437

IUPACN-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-3-22-9-10-23-17-11-14(2)6-7-15(17)13-20-18(21)16-5-4-8-19-12-16/h6-7,11,16,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyCHLXGYXMMKTPFN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.03
Rot. Bonds8

About N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide

N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide (PubChem CID 119339437) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
PubChem CID119339437
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
SMILESCCOCCOc1cc(C)ccc1CNC(=O)C1CCCNC1
InChIInChI=1S/C18H28N2O3/c1-3-22-9-10-23-17-11-14(2)6-7-15(17)13-20-18(21)16-5-4-8-19-12-16/h6-7,11,16,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyCHLXGYXMMKTPFN-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
3-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119811342
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
4-[[2-(2-ethoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005886
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119864927
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811297
1-amino-N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119339438

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide (CID 119339437) is N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide is CCOCCOc1cc(C)ccc1CNC(=O)C1CCCNC1.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide?
The InChIKey is CHLXGYXMMKTPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-9-10-23-17-11-14(2)6-7-15(17)13-20-18(21)16-5-4-8-19-12-16/h6-7,11,16,19H,3-5,8-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide?
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119339437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).