2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide

C20H28N2O5 — CID 108558758

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-6-5-14(12-18(16)26-2)13-19(23)21-15-7-9-22(10-8-15)20(24)17-4-3-11-27-17/h5-6,12,15,17H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyQQYPPXQASQNKPM-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.53
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108558758) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID108558758
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-6-5-14(12-18(16)26-2)13-19(23)21-15-7-9-22(10-8-15)20(24)17-4-3-11-27-17/h5-6,12,15,17H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyQQYPPXQASQNKPM-UHFFFAOYSA-N
XLogP1.53
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302215
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
2-(3,4-dimethoxyphenyl)-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 108558753
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301127

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide (CID 108558758) is 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is QQYPPXQASQNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-16-6-5-14(12-18(16)26-2)13-19(23)21-15-7-9-22(10-8-15)20(24)17-4-3-11-27-17/h5-6,12,15,17H,3-4,7-11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108558758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).