4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide

C14H15N5O2S — CID 110866230

IUPAC4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C14H15N5O2S/c20-12(11-3-1-10-22-11)17-14(21)19-8-6-18(7-9-19)13-15-4-2-5-16-13/h1-5,10H,6-9H2,(H,17,20,21)
InChIKeyUOCGOCSLOXNQJJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.21
Rot. Bonds2

About 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide

4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 110866230) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID110866230
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C14H15N5O2S/c20-12(11-3-1-10-22-11)17-14(21)19-8-6-18(7-9-19)13-15-4-2-5-16-13/h1-5,10H,6-9H2,(H,17,20,21)
InChIKeyUOCGOCSLOXNQJJ-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] thiophene-2-carboxylate
CID 30580321
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 112994685
N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55933838
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110866118
(E)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 110298550
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
CID 17429033
4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17428053

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 110866230) is 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide is O=C(NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1.
What is the InChIKey of 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is UOCGOCSLOXNQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-12(11-3-1-10-22-11)17-14(21)19-8-6-18(7-9-19)13-15-4-2-5-16-13/h1-5,10H,6-9H2,(H,17,20,21).
What are the key properties of 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide?
4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110866230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).