1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C18H20N6OS — CID 56764920

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18(20-11-15-2-1-9-26-15)14-3-6-23(7-4-14)16-10-17(22-12-21-16)24-8-5-19-13-24/h1-2,5,8-10,12-14H,3-4,6-7,11H2,(H,20,25)
InChIKeyGSDVAORLDVKRKM-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.26
Rot. Bonds5

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 56764920) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID56764920
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18(20-11-15-2-1-9-26-15)14-3-6-23(7-4-14)16-10-17(22-12-21-16)24-8-5-19-13-24/h1-2,5,8-10,12-14H,3-4,6-7,11H2,(H,20,25)
InChIKeyGSDVAORLDVKRKM-UHFFFAOYSA-N
XLogP2.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 56764920) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GSDVAORLDVKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(20-11-15-2-1-9-26-15)14-3-6-23(7-4-14)16-10-17(22-12-21-16)24-8-5-19-13-24/h1-2,5,8-10,12-14H,3-4,6-7,11H2,(H,20,25).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56764920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).