4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one

C10H15N3O2 — CID 82507803

IUPAC4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
SMILESNCc1occc1CN1CCNC(=O)C1
InChIInChI=1S/C10H15N3O2/c11-5-9-8(1-4-15-9)6-13-3-2-12-10(14)7-13/h1,4H,2-3,5-7,11H2,(H,12,14)
InChIKeyYHQPLDYXEIFIED-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.33
Rot. Bonds3

About 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one

4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one (PubChem CID 82507803) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
PubChem CID82507803
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
SMILESNCc1occc1CN1CCNC(=O)C1
InChIInChI=1S/C10H15N3O2/c11-5-9-8(1-4-15-9)6-13-3-2-12-10(14)7-13/h1,4H,2-3,5-7,11H2,(H,12,14)
InChIKeyYHQPLDYXEIFIED-UHFFFAOYSA-N
XLogP-0.33
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006
3-[[2-(aminomethyl)furan-3-yl]methyl]imidazolidine-2,4-dione
CID 82507746
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
CID 82507792
4-(aminomethyl)piperazin-2-one
CID 170083985
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
CID 62930470
1-[[2-(aminomethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 55134887
2-amino-6-[(3-oxopiperazin-1-yl)methyl]benzoic acid
CID 104824232
2-[4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889758
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
4-[(2-chloro-3-pyridinyl)methyl]piperazin-2-one
CID 60617185
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714
4-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1,4-diazepan-2-one
CID 65361334

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one (CID 82507803) is 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one is NCc1occc1CN1CCNC(=O)C1.
What is the InChIKey of 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one?
The InChIKey is YHQPLDYXEIFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-5-9-8(1-4-15-9)6-13-3-2-12-10(14)7-13/h1,4H,2-3,5-7,11H2,(H,12,14).
What are the key properties of 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one?
4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 82507803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).