tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate

C15H23ClN4O3 — CID 86709788

IUPACtert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCOc1cc(Cl)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23ClN4O3/c1-15(2,3)23-14(21)17-10-5-7-20(8-6-10)13-18-11(16)9-12(19-13)22-4/h9-10H,5-8H2,1-4H3,(H,17,21)
InChIKeyBOUAHNGYPIYGMS-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate (PubChem CID 86709788) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
PubChem CID86709788
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Nametert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCOc1cc(Cl)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H23ClN4O3/c1-15(2,3)23-14(21)17-10-5-7-20(8-6-10)13-18-11(16)9-12(19-13)22-4/h9-10H,5-8H2,1-4H3,(H,17,21)
InChIKeyBOUAHNGYPIYGMS-UHFFFAOYSA-N
XLogP2.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
methyl 2-chloro-6-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]oxypyridine-4-carboxylate
CID 146241669
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 175640181
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
tert-butyl N-[1-[4-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-6-methoxypyrimidin-2-yl]piperidin-4-yl]carbamate
CID 67976781
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
tert-butyl N-[1-(4-butoxy-6-chloro-2-pyridinyl)piperidin-4-yl]carbamate
CID 177282726
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
trifluoro-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]boranuide
CID 167740695
tert-butyl N-[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 71634263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate (CID 86709788) is tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate is COc1cc(Cl)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is BOUAHNGYPIYGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O3/c1-15(2,3)23-14(21)17-10-5-7-20(8-6-10)13-18-11(16)9-12(19-13)22-4/h9-10H,5-8H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 342.83 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 86709788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).