tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate

C18H28N4O3 — CID 118391853

IUPACtert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCCNC(=O)c1cnc(C)nc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N4O3/c1-6-19-16(23)14-11-20-12(2)21-15(14)13-7-9-22(10-8-13)17(24)25-18(3,4)5/h11,13H,6-10H2,1-5H3,(H,19,23)
InChIKeyNPWIFLPCUJONHG-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 118391853) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID118391853
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
SMILESCCNC(=O)c1cnc(C)nc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N4O3/c1-6-19-16(23)14-11-20-12(2)21-15(14)13-7-9-22(10-8-13)17(24)25-18(3,4)5/h11,13H,6-10H2,1-5H3,(H,19,23)
InChIKeyNPWIFLPCUJONHG-UHFFFAOYSA-N
XLogP2.65
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[5-(2-diethoxyphosphorylacetyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 118391875
tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 140688872
N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 118378423
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 3-(ethylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 77402680
4-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 118378424
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-(2-methylpyrimidin-5-yl)piperidine-1-carboxylate
CID 177161028
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
4-[1-[2-(2,4-difluorophenyl)acetyl]piperidin-4-yl]-N-[(3,5-dimethylphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 118378166
tert-butyl 4-[2-(4-ethoxyphenyl)-6-[(4-ethoxyphenyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 46256764

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate (CID 118391853) is tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate is CCNC(=O)c1cnc(C)nc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is NPWIFLPCUJONHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-6-19-16(23)14-11-20-12(2)21-15(14)13-7-9-22(10-8-13)17(24)25-18(3,4)5/h11,13H,6-10H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 118391853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).