3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide

C21H34N2O3 — CID 99958476

IUPAC3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCN2CCCCC2)cc1OCC
InChIInChI=1S/C21H34N2O3/c1-3-25-19-11-9-18(17-20(19)26-4-2)10-12-21(24)22-13-8-16-23-14-6-5-7-15-23/h9,11,17H,3-8,10,12-16H2,1-2H3,(H,22,24)
InChIKeyBGHLARNKYAGRER-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.41
Rot. Bonds11

About 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide

3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 99958476) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID99958476
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCN2CCCCC2)cc1OCC
InChIInChI=1S/C21H34N2O3/c1-3-25-19-11-9-18(17-20(19)26-4-2)10-12-21(24)22-13-8-16-23-14-6-5-7-15-23/h9,11,17H,3-8,10,12-16H2,1-2H3,(H,22,24)
InChIKeyBGHLARNKYAGRER-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111574911
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide (CID 99958476) is 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide is CCOc1ccc(CCC(=O)NCCCN2CCCCC2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is BGHLARNKYAGRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-25-19-11-9-18(17-20(19)26-4-2)10-12-21(24)22-13-8-16-23-14-6-5-7-15-23/h9,11,17H,3-8,10,12-16H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide?
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 362.51 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 99958476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).