1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C20H28N4OS — CID 133277457

IUPAC1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H28N4OS/c1-14(2)19-22-15(3)13-18(23-19)24-10-7-16(8-11-24)20(25)21-9-6-17-5-4-12-26-17/h4-5,12-14,16H,6-11H2,1-3H3,(H,21,25)
InChIKeyROGNUJPLPBJYBG-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.55
Rot. Bonds6

About 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 133277457) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID133277457
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H28N4OS/c1-14(2)19-22-15(3)13-18(23-19)24-10-7-16(8-11-24)20(25)21-9-6-17-5-4-12-26-17/h4-5,12-14,16H,6-11H2,1-3H3,(H,21,25)
InChIKeyROGNUJPLPBJYBG-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
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-[4-acetamido-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 50838687
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)azetidine-3-carboxamide
CID 121128329
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 133277457) is 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCCc3cccs3)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is ROGNUJPLPBJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14(2)19-22-15(3)13-18(23-19)24-10-7-16(8-11-24)20(25)21-9-6-17-5-4-12-26-17/h4-5,12-14,16H,6-11H2,1-3H3,(H,21,25).
What are the key properties of 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133277457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).