2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C14H23N3O2 — CID 91837266

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CN(C)CCN2C)o1
InChIInChI=1S/C14H23N3O2/c1-11-4-5-13(19-11)9-15-14(18)8-12-10-16(2)6-7-17(12)3/h4-5,12H,6-10H2,1-3H3,(H,15,18)
InChIKeyROIMXHJBJBGSLP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.84
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 91837266) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID91837266
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CN(C)CCN2C)o1
InChIInChI=1S/C14H23N3O2/c1-11-4-5-13(19-11)9-15-14(18)8-12-10-16(2)6-7-17(12)3/h4-5,12H,6-10H2,1-3H3,(H,15,18)
InChIKeyROIMXHJBJBGSLP-UHFFFAOYSA-N
XLogP0.84
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-N-(furan-3-ylmethyl)acetamide
CID 91829648
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
CID 63897992
(3aR,5S,6S,7aS)-5,6-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 119066300
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 97315817
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429169
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 91837266) is 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CN(C)CCN2C)o1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is ROIMXHJBJBGSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-4-5-13(19-11)9-15-14(18)8-12-10-16(2)6-7-17(12)3/h4-5,12H,6-10H2,1-3H3,(H,15,18).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 91837266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).