N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C22H28N2O4 — CID 56554989

IUPACN-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCC(C2OCCO2)C1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H28N2O4/c25-21(17-23-10-4-8-19(15-23)22-27-12-13-28-22)24(16-20-9-5-11-26-20)14-18-6-2-1-3-7-18/h1-3,5-7,9,11,19,22H,4,8,10,12-17H2
InChIKeyFEXWFSGARGRCRO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.89
Rot. Bonds7

About N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 56554989) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID56554989
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCCC(C2OCCO2)C1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H28N2O4/c25-21(17-23-10-4-8-19(15-23)22-27-12-13-28-22)24(16-20-9-5-11-26-20)14-18-6-2-1-3-7-18/h1-3,5-7,9,11,19,22H,4,8,10,12-17H2
InChIKeyFEXWFSGARGRCRO-UHFFFAOYSA-N
XLogP2.89
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6941551
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 51148631
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 56554989) is N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCCC(C2OCCO2)C1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FEXWFSGARGRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-21(17-23-10-4-8-19(15-23)22-27-12-13-28-22)24(16-20-9-5-11-26-20)14-18-6-2-1-3-7-18/h1-3,5-7,9,11,19,22H,4,8,10,12-17H2.
What are the key properties of N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 56554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).