1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide

C24H30N2O3 — CID 38098399

IUPAC1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2CCN(Cc3cccc(OCC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-16-29-22-10-8-21(9-11-22)25-24(27)20-12-14-26(15-13-20)18-19-6-5-7-23(17-19)28-4-2/h3,5-11,17,20H,1,4,12-16,18H2,2H3,(H,25,27)
InChIKeyARIAEFCTLTZCLA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.50
Rot. Bonds9

About 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide

1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide (PubChem CID 38098399) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
PubChem CID38098399
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2CCN(Cc3cccc(OCC)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-16-29-22-10-8-21(9-11-22)25-24(27)20-12-14-26(15-13-20)18-19-6-5-7-23(17-19)28-4-2/h3,5-11,17,20H,1,4,12-16,18H2,2H3,(H,25,27)
InChIKeyARIAEFCTLTZCLA-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 43924414
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38140368

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide (CID 38098399) is 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide is C=CCOc1ccc(NC(=O)C2CCN(Cc3cccc(OCC)c3)CC2)cc1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ARIAEFCTLTZCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-16-29-22-10-8-21(9-11-22)25-24(27)20-12-14-26(15-13-20)18-19-6-5-7-23(17-19)28-4-2/h3,5-11,17,20H,1,4,12-16,18H2,2H3,(H,25,27).
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide?
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38098399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).