1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C17H22N4OS — CID 645574

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1
InChIInChI=1S/C17H22N4OS/c1-12-9-13(2)20-17(19-12)21-7-3-5-14(11-21)16(22)18-10-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,22)
InChIKeyKCXRFPVWRAOSNT-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.69
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 645574) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID645574
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1
InChIInChI=1S/C17H22N4OS/c1-12-9-13(2)20-17(19-12)21-7-3-5-14(11-21)16(22)18-10-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,22)
InChIKeyKCXRFPVWRAOSNT-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 645574) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is KCXRFPVWRAOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-9-13(2)20-17(19-12)21-7-3-5-14(11-21)16(22)18-10-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,18,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 645574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).