1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C16H20N4OS — CID 3223406

IUPAC1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3cccs3)C2)n1
InChIInChI=1S/C16H20N4OS/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)
InChIKeyPBJHOGNIQFLWPL-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3223406) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3223406
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3cccs3)C2)n1
InChIInChI=1S/C16H20N4OS/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21)
InChIKeyPBJHOGNIQFLWPL-UHFFFAOYSA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 3223406) is 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCc3cccs3)C2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PBJHOGNIQFLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-6-7-17-16(19-12)20-8-2-4-13(11-20)15(21)18-10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3,(H,18,21).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3223406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).