3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide

C19H30N2O3 — CID 99972464

IUPAC3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C)CC2)cc1OCC
InChIInChI=1S/C19H30N2O3/c1-4-23-17-8-6-15(14-18(17)24-5-2)7-9-19(22)20-16-10-12-21(3)13-11-16/h6,8,14,16H,4-5,7,9-13H2,1-3H3,(H,20,22)
InChIKeyPHUSBBFUQLUITK-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.63
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide

3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 99972464) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID99972464
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCOc1ccc(CCC(=O)NC2CCN(C)CC2)cc1OCC
InChIInChI=1S/C19H30N2O3/c1-4-23-17-8-6-15(14-18(17)24-5-2)7-9-19(22)20-16-10-12-21(3)13-11-16/h6,8,14,16H,4-5,7,9-13H2,1-3H3,(H,20,22)
InChIKeyPHUSBBFUQLUITK-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558860
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 99972464) is 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide is CCOc1ccc(CCC(=O)NC2CCN(C)CC2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is PHUSBBFUQLUITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-23-17-8-6-15(14-18(17)24-5-2)7-9-19(22)20-16-10-12-21(3)13-11-16/h6,8,14,16H,4-5,7,9-13H2,1-3H3,(H,20,22).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide?
3-(3,4-diethoxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.63, 8 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-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 99972464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).