4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one

C15H21N3O3S — CID 45238416

IUPAC4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2ccoc2)C1CC(=O)N1CCSCC1
InChIInChI=1S/C15H21N3O3S/c19-14(17-4-7-22-8-5-17)9-13-15(20)16-2-3-18(13)10-12-1-6-21-11-12/h1,6,11,13H,2-5,7-10H2,(H,16,20)
InChIKeyYTDHATLHXQDCNE-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.55
Rot. Bonds4

About 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one

4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one (PubChem CID 45238416) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
PubChem CID45238416
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2ccoc2)C1CC(=O)N1CCSCC1
InChIInChI=1S/C15H21N3O3S/c19-14(17-4-7-22-8-5-17)9-13-15(20)16-2-3-18(13)10-12-1-6-21-11-12/h1,6,11,13H,2-5,7-10H2,(H,16,20)
InChIKeyYTDHATLHXQDCNE-UHFFFAOYSA-N
XLogP0.55
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
4-(furan-3-ylmethyl)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45170722
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
CID 26407343
4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 45227835
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 26316866
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
CID 56887957
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one?
The IUPAC name of 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one (CID 45238416) is 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one.
What is the SMILES notation for 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one?
The canonical SMILES for 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one is O=C1NCCN(Cc2ccoc2)C1CC(=O)N1CCSCC1.
What is the InChIKey of 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one?
The InChIKey is YTDHATLHXQDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-14(17-4-7-22-8-5-17)9-13-15(20)16-2-3-18(13)10-12-1-6-21-11-12/h1,6,11,13H,2-5,7-10H2,(H,16,20).
What are the key properties of 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one?
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one has a molecular weight of 323.42 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one is sourced from PubChem (CID 45238416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).