N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide

C14H23N3O2 — CID 115171782

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(CN(C)C(=O)CCN2CCNCC2)o1
InChIInChI=1S/C14H23N3O2/c1-12-3-4-13(19-12)11-16(2)14(18)5-8-17-9-6-15-7-10-17/h3-4,15H,5-11H2,1-2H3
InChIKeyXNWMPTFDSJIOIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.84
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide (PubChem CID 115171782) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
PubChem CID115171782
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(CN(C)C(=O)CCN2CCNCC2)o1
InChIInChI=1S/C14H23N3O2/c1-12-3-4-13(19-12)11-16(2)14(18)5-8-17-9-6-15-7-10-17/h3-4,15H,5-11H2,1-2H3
InChIKeyXNWMPTFDSJIOIH-UHFFFAOYSA-N
XLogP0.84
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 56815341
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643024
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide (CID 115171782) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide is Cc1ccc(CN(C)C(=O)CCN2CCNCC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The InChIKey is XNWMPTFDSJIOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-3-4-13(19-12)11-16(2)14(18)5-8-17-9-6-15-7-10-17/h3-4,15H,5-11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.84, 5 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)methyl]-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 115171782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).