tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate

C15H22N4O3 — CID 162376577

IUPACtert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(C(N)=O)ncn2)CC1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)10-4-6-19(7-5-10)12-8-11(13(16)20)17-9-18-12/h8-10H,4-7H2,1-3H3,(H2,16,20)
InChIKeyDKCZOFBULHCFBM-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.13
Rot. Bonds3

About tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate

tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 162376577) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID162376577
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cc(C(N)=O)ncn2)CC1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)10-4-6-19(7-5-10)12-8-11(13(16)20)17-9-18-12/h8-10H,4-7H2,1-3H3,(H2,16,20)
InChIKeyDKCZOFBULHCFBM-UHFFFAOYSA-N
XLogP1.13
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate;1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877328
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 162376246
tert-butyl 1-(6-isocyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 168838987
tert-butyl 1-(5-bromopyrazin-2-yl)piperidine-4-carboxylate
CID 139550884
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate (CID 162376577) is tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2cc(C(N)=O)ncn2)CC1.
What is the InChIKey of tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is DKCZOFBULHCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)10-4-6-19(7-5-10)12-8-11(13(16)20)17-9-18-12/h8-10H,4-7H2,1-3H3,(H2,16,20).
What are the key properties of tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate?
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 162376577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).