2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C18H26N2O3 — CID 56501460

IUPAC2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCCC2C2OCCO2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-5-7-15(8-6-14)12-19-17(21)13-20-9-3-2-4-16(20)18-22-10-11-23-18/h5-8,16,18H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyWHXWBLKRENFRMX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 56501460) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID56501460
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCCC2C2OCCO2)cc1
InChIInChI=1S/C18H26N2O3/c1-14-5-7-15(8-6-14)12-19-17(21)13-20-9-3-2-4-16(20)18-22-10-11-23-18/h5-8,16,18H,2-4,9-13H2,1H3,(H,19,21)
InChIKeyWHXWBLKRENFRMX-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 56500927
2-[(4aS,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100897569
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
CID 96549660
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 75921586
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 56501460) is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCCCC2C2OCCO2)cc1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WHXWBLKRENFRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-5-7-15(8-6-14)12-19-17(21)13-20-9-3-2-4-16(20)18-22-10-11-23-18/h5-8,16,18H,2-4,9-13H2,1H3,(H,19,21).
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 56501460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).