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

C13H19N3O2S — CID 47128041

IUPACN-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
InChIKeyHUNNMXFWKHWRFU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.62
Rot. Bonds2

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

N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 47128041) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID47128041
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
InChIKeyHUNNMXFWKHWRFU-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 47128041) is N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is HUNNMXFWKHWRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18).
What are the key properties of N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 47128041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).