6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one

C23H26N4O2S — CID 3451185

IUPAC6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2SC1N1CCCC1
InChIInChI=1S/C23H26N4O2S/c28-21-23(27-10-4-5-11-27)30-20-9-8-17(16-19(20)24-21)22(29)26-14-12-25(13-15-26)18-6-2-1-3-7-18/h1-3,6-9,16,23H,4-5,10-15H2,(H,24,28)
InChIKeyICBQQCFCCZFTDF-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.12
Rot. Bonds3

About 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one

6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one (PubChem CID 3451185) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one
PubChem CID3451185
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2SC1N1CCCC1
InChIInChI=1S/C23H26N4O2S/c28-21-23(27-10-4-5-11-27)30-20-9-8-17(16-19(20)24-21)22(29)26-14-12-25(13-15-26)18-6-2-1-3-7-18/h1-3,6-9,16,23H,4-5,10-15H2,(H,24,28)
InChIKeyICBQQCFCCZFTDF-UHFFFAOYSA-N
XLogP3.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 92696424
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 4572104
6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 5122142
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 4063444
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylic acid
CID 125145617
N-butan-2-yl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 5072193
phenyl 4-(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
CID 51122964
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 16602212
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 92696425
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one (CID 3451185) is 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one is O=C1Nc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2SC1N1CCCC1.
What is the InChIKey of 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one?
The InChIKey is ICBQQCFCCZFTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-21-23(27-10-4-5-11-27)30-20-9-8-17(16-19(20)24-21)22(29)26-14-12-25(13-15-26)18-6-2-1-3-7-18/h1-3,6-9,16,23H,4-5,10-15H2,(H,24,28).
What are the key properties of 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one?
6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one has a molecular weight of 422.55 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 3451185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).