2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C18H26N2O4 — CID 56500927

IUPAC2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C18H26N2O4/c1-22-16-8-3-2-6-14(16)12-19-17(21)13-20-9-5-4-7-15(20)18-23-10-11-24-18/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3,(H,19,21)
InChIKeyAJWNEAZLFHWNIQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.54
Rot. Bonds6

About 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 56500927) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID56500927
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCC1C1OCCO1
InChIInChI=1S/C18H26N2O4/c1-22-16-8-3-2-6-14(16)12-19-17(21)13-20-9-5-4-7-15(20)18-23-10-11-24-18/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3,(H,19,21)
InChIKeyAJWNEAZLFHWNIQ-UHFFFAOYSA-N
XLogP1.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2677102
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
2-[(4S,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide;formic acid
CID 154914347
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 56500927) is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCCCC1C1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is AJWNEAZLFHWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-8-3-2-6-14(16)12-19-17(21)13-20-9-5-4-7-15(20)18-23-10-11-24-18/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3,(H,19,21).
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 56500927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).