1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

C21H32N2O3 — CID 3599917

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-7-8-19(25-4)13-20(18)26-5/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3
InChIKeyNCGAXKRMZDDQMU-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.34
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 3599917) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
PubChem CID3599917
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C21H32N2O3/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-7-8-19(25-4)13-20(18)26-5/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3
InChIKeyNCGAXKRMZDDQMU-UHFFFAOYSA-N
XLogP3.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide;oxalic acid
CID 2903567
N-ethyl-1-[(2-hydroxyphenyl)methyl]-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 762868
N-ethyl-N-(2-methylprop-2-enyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 2903568
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42858221
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (CID 3599917) is 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is C=C(C)CN(CC)C(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is NCGAXKRMZDDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-6-23(14-16(2)3)21(24)17-9-11-22(12-10-17)15-18-7-8-19(25-4)13-20(18)26-5/h7-8,13,17H,2,6,9-12,14-15H2,1,3-5H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 3599917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).