4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide

C17H23N5OS — CID 86791339

IUPAC4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NCC(C)c3cccs3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13(15-4-3-11-24-15)12-19-17(23)22-9-7-21(8-10-22)16-5-6-18-14(2)20-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,23)
InChIKeyPZWRAYSMNUUMCE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds4

About 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide

4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide (PubChem CID 86791339) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide
PubChem CID86791339
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NCC(C)c3cccs3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13(15-4-3-11-24-15)12-19-17(23)22-9-7-21(8-10-22)16-5-6-18-14(2)20-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,23)
InChIKeyPZWRAYSMNUUMCE-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 75522573
N-(2-phenylpropyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48508752
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 97306529
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
CID 99630321
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
(2S)-2-hydroxy-3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 107838022
N-[(2S)-2-methoxypropyl]-4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxamide
CID 125448423

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide (CID 86791339) is 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide is Cc1nccc(N2CCN(C(=O)NCC(C)c3cccs3)CC2)n1.
What is the InChIKey of 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide?
The InChIKey is PZWRAYSMNUUMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(15-4-3-11-24-15)12-19-17(23)22-9-7-21(8-10-22)16-5-6-18-14(2)20-16/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,23).
What are the key properties of 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide?
4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 86791339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).