2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

C19H25N3O2 — CID 78787266

IUPAC2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-20(15-18-8-5-13-24-18)19(23)16-22-11-9-21(10-12-22)14-17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3
InChIKeyIOZYDWNUNZHFRG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 78787266) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID78787266
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O2/c1-20(15-18-8-5-13-24-18)19(23)16-22-11-9-21(10-12-22)14-17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3
InChIKeyIOZYDWNUNZHFRG-UHFFFAOYSA-N
XLogP2.06
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792851
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
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78819072

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 78787266) is 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is IOZYDWNUNZHFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20(15-18-8-5-13-24-18)19(23)16-22-11-9-21(10-12-22)14-17-6-3-2-4-7-17/h2-8,13H,9-12,14-16H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 327.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 78787266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).