tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate

C17H27N5O3 — CID 71242125

IUPACtert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1ncc(C(N)=O)c(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N5O3/c1-11-19-10-13(14(18)23)15(21-11)22-7-5-12(6-8-22)9-20-16(24)25-17(2,3)4/h10,12H,5-9H2,1-4H3,(H2,18,23)(H,20,24)
InChIKeyUQXLJUJATLGMIO-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 71242125) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
PubChem CID71242125
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Nametert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1ncc(C(N)=O)c(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N5O3/c1-11-19-10-13(14(18)23)15(21-11)22-7-5-12(6-8-22)9-20-16(24)25-17(2,3)4/h10,12H,5-9H2,1-4H3,(H2,18,23)(H,20,24)
InChIKeyUQXLJUJATLGMIO-UHFFFAOYSA-N
XLogP1.63
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
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tert-butyl N-[[1-(4-chloro-5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate
CID 168885145
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
tert-butyl N-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 133300314
tert-butyl N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]carbamate
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tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
CID 58464892
tert-butyl N-[2-[1-(2-carbamoylthieno[2,3-c]pyridin-7-yl)piperidin-4-yl]ethyl]carbamate
CID 90398890
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate (CID 71242125) is tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate is Cc1ncc(C(N)=O)c(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is UQXLJUJATLGMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11-19-10-13(14(18)23)15(21-11)22-7-5-12(6-8-22)9-20-16(24)25-17(2,3)4/h10,12H,5-9H2,1-4H3,(H2,18,23)(H,20,24).
What are the key properties of tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 349.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 71242125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).