3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

C9H11N3O2S — CID 3070020

IUPAC3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESNC(=O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C9H11N3O2S/c10-9(14)12-4-3-11-8(13)7(12)6-2-1-5-15-6/h1-2,5,7H,3-4H2,(H2,10,14)(H,11,13)
InChIKeyMVXKTRMFTSSHDX-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.30
Rot. Bonds1

About 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 3070020) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID3070020
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESNC(=O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C9H11N3O2S/c10-9(14)12-4-3-11-8(13)7(12)6-2-1-5-15-6/h1-2,5,7H,3-4H2,(H2,10,14)(H,11,13)
InChIKeyMVXKTRMFTSSHDX-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-(3-aminocyclohexanecarbonyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801482
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 71987151
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
4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119939774

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (CID 3070020) is 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is NC(=O)N1CCNC(=O)C1c1cccs1.
What is the InChIKey of 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is MVXKTRMFTSSHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-9(14)12-4-3-11-8(13)7(12)6-2-1-5-15-6/h1-2,5,7H,3-4H2,(H2,10,14)(H,11,13).
What are the key properties of 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3070020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).