4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one

C17H15N3O2S — CID 71987151

IUPAC4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2cc3ccccn3c2)C1c1cccs1
InChIInChI=1S/C17H15N3O2S/c21-16-15(14-5-3-9-23-14)20(8-6-18-16)17(22)12-10-13-4-1-2-7-19(13)11-12/h1-5,7,9-11,15H,6,8H2,(H,18,21)
InChIKeyADYXGGLEWJQLIT-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.31
Rot. Bonds2

About 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one

4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 71987151) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
PubChem CID71987151
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2cc3ccccn3c2)C1c1cccs1
InChIInChI=1S/C17H15N3O2S/c21-16-15(14-5-3-9-23-14)20(8-6-18-16)17(22)12-10-13-4-1-2-7-19(13)11-12/h1-5,7,9-11,15H,6,8H2,(H,18,21)
InChIKeyADYXGGLEWJQLIT-UHFFFAOYSA-N
XLogP2.31
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
CID 127683926
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 136564190
N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 13120683
(3R)-4-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 100641562
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 23315287
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 71870427

Frequently Asked Questions

What is the IUPAC name of 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one (CID 71987151) is 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(C(=O)c2cc3ccccn3c2)C1c1cccs1.
What is the InChIKey of 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is ADYXGGLEWJQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16-15(14-5-3-9-23-14)20(8-6-18-16)17(22)12-10-13-4-1-2-7-19(13)11-12/h1-5,7,9-11,15H,6,8H2,(H,18,21).
What are the key properties of 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 325.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 71987151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).