1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C17H22N4OS — CID 133304116

IUPAC1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)ncn1
InChIInChI=1S/C17H22N4OS/c1-13-11-16(20-12-19-13)21-8-5-14(6-9-21)17(22)18-7-4-15-3-2-10-23-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,22)
InChIKeyJGNSLUVXIRVSTI-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.42
Rot. Bonds5

About 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 133304116) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID133304116
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)ncn1
InChIInChI=1S/C17H22N4OS/c1-13-11-16(20-12-19-13)21-8-5-14(6-9-21)17(22)18-7-4-15-3-2-10-23-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,22)
InChIKeyJGNSLUVXIRVSTI-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277457
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53202042
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277458
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 133304116) is 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)ncn1.
What is the InChIKey of 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is JGNSLUVXIRVSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-11-16(20-12-19-13)21-8-5-14(6-9-21)17(22)18-7-4-15-3-2-10-23-15/h2-3,10-12,14H,4-9H2,1H3,(H,18,22).
What are the key properties of 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133304116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).