N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C20H27N3O3 — CID 78792851

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H27N3O3/c1-21(16-19-8-5-14-25-19)20(24)17-23-11-9-22(10-12-23)13-15-26-18-6-3-2-4-7-18/h2-8,14H,9-13,15-17H2,1H3
InChIKeyOJYCLUMNFUBWLL-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.93
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 78792851) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID78792851
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H27N3O3/c1-21(16-19-8-5-14-25-19)20(24)17-23-11-9-22(10-12-23)13-15-26-18-6-3-2-4-7-18/h2-8,14H,9-13,15-17H2,1H3
InChIKeyOJYCLUMNFUBWLL-UHFFFAOYSA-N
XLogP1.93
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55362422
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 78792851) is N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is CN(Cc1ccco1)C(=O)CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is OJYCLUMNFUBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21(16-19-8-5-14-25-19)20(24)17-23-11-9-22(10-12-23)13-15-26-18-6-3-2-4-7-18/h2-8,14H,9-13,15-17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78792851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).