5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one

C16H21N3O2S — CID 110695468

IUPAC5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1CSCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C16H21N3O2S/c20-15-12-22-11-14(17-15)16(21)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,20)
InChIKeyFIHMVZAHOVICPX-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.56
Rot. Bonds3

About 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one

5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one (PubChem CID 110695468) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
PubChem CID110695468
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1CSCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C16H21N3O2S/c20-15-12-22-11-14(17-15)16(21)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,20)
InChIKeyFIHMVZAHOVICPX-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[4-(2-phenylethyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986453
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide
CID 110695444
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102776845
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119838929

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one (CID 110695468) is 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one is O=C1CSCC(C(=O)N2CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one?
The InChIKey is FIHMVZAHOVICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-15-12-22-11-14(17-15)16(21)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,20).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one?
5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one has a molecular weight of 319.43 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 110695468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).