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

C14H23N3O2 — CID 115189094

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(CNC(=O)C(C)CN2CCNCC2)o1
InChIInChI=1S/C14H23N3O2/c1-11(10-17-7-5-15-6-8-17)14(18)16-9-13-4-3-12(2)19-13/h3-4,11,15H,5-10H2,1-2H3,(H,16,18)
InChIKeySQBCBKZIMZZTPG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.75
Rot. Bonds5

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

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide (PubChem CID 115189094) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
PubChem CID115189094
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(CNC(=O)C(C)CN2CCNCC2)o1
InChIInChI=1S/C14H23N3O2/c1-11(10-17-7-5-15-6-8-17)14(18)16-9-13-4-3-12(2)19-13/h3-4,11,15H,5-10H2,1-2H3,(H,16,18)
InChIKeySQBCBKZIMZZTPG-UHFFFAOYSA-N
XLogP0.75
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
1-[2-methyl-3-(5-methylfuran-2-yl)propyl]piperazine
CID 116931937
2-(1,4-diazepan-1-yl)-N-[(5-methylfuran-2-yl)methyl]-2-oxoacetamide
CID 62522873
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39854745
(2R)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39891789
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
2-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-yl)propanamide
CID 115189060
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide
CID 115171782
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide (CID 115189094) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide is Cc1ccc(CNC(=O)C(C)CN2CCNCC2)o1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
The InChIKey is SQBCBKZIMZZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(10-17-7-5-15-6-8-17)14(18)16-9-13-4-3-12(2)19-13/h3-4,11,15H,5-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 115189094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).