N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide

C13H21N3O2 — CID 115178391

IUPACN-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
SMILESCc1ccc(N(C)C(=O)CC2CNCCN2C)o1
InChIInChI=1S/C13H21N3O2/c1-10-4-5-13(18-10)16(3)12(17)8-11-9-14-6-7-15(11)2/h4-5,11,14H,6-9H2,1-3H3
InChIKeyPXXXELLENDMXLB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.84
Rot. Bonds3

About N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide

N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide (PubChem CID 115178391) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
PubChem CID115178391
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide
SMILESCc1ccc(N(C)C(=O)CC2CNCCN2C)o1
InChIInChI=1S/C13H21N3O2/c1-10-4-5-13(18-10)16(3)12(17)8-11-9-14-6-7-15(11)2/h4-5,11,14H,6-9H2,1-3H3
InChIKeyPXXXELLENDMXLB-UHFFFAOYSA-N
XLogP0.84
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
N-methyl-2-(1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 115178427
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
1-methyl-2-[[3-(5-methylfuran-2-yl)oxetan-3-yl]methyl]piperazine
CID 116874177
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
1-(2-bromophenyl)-2-(1-methylpiperazin-2-yl)ethanone
CID 116920117
N-methyl-N-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 115118775
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
N,5-dimethyl-N-(piperazin-1-ylmethyl)furan-2-amine
CID 115229932
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide?
The IUPAC name of N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide (CID 115178391) is N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide is Cc1ccc(N(C)C(=O)CC2CNCCN2C)o1.
What is the InChIKey of N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide?
The InChIKey is PXXXELLENDMXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-4-5-13(18-10)16(3)12(17)8-11-9-14-6-7-15(11)2/h4-5,11,14H,6-9H2,1-3H3.
What are the key properties of N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide?
N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)acetamide is sourced from PubChem (CID 115178391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).