tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

C14H21N3O3 — CID 164662482

IUPACtert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(=O)[nH]c2)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)11-8-15-12(18)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyDVFJWBPTYBDNKV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 164662482) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID164662482
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc(=O)[nH]c2)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)11-8-15-12(18)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyDVFJWBPTYBDNKV-UHFFFAOYSA-N
XLogP1.88
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate
CID 134494371
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-(2-methylpyrimidin-5-yl)piperidine-1-carboxylate
CID 177161028
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
CID 144544784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate (CID 164662482) is tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc(=O)[nH]c2)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is DVFJWBPTYBDNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)11-8-15-12(18)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 164662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).