propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate

C17H28N4O3 — CID 68848737

IUPACpropan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCC1CC(Nc2ncc(O)cn2)CC(CC)N1C(=O)OC(C)C
InChIInChI=1S/C17H28N4O3/c1-5-13-7-12(20-16-18-9-15(22)10-19-16)8-14(6-2)21(13)17(23)24-11(3)4/h9-14,22H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyDZNTYWLBWZHKJS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds5

About propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate

propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 68848737) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate
PubChem CID68848737
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Namepropan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCC1CC(Nc2ncc(O)cn2)CC(CC)N1C(=O)OC(C)C
InChIInChI=1S/C17H28N4O3/c1-5-13-7-12(20-16-18-9-15(22)10-19-16)8-14(6-2)21(13)17(23)24-11(3)4/h9-14,22H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyDZNTYWLBWZHKJS-UHFFFAOYSA-N
XLogP3.16
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate (CID 68848737) is propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate is CCC1CC(Nc2ncc(O)cn2)CC(CC)N1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is DZNTYWLBWZHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-13-7-12(20-16-18-9-15(22)10-19-16)8-14(6-2)21(13)17(23)24-11(3)4/h9-14,22H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate?
propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,6-diethyl-4-[(5-hydroxypyrimidin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 68848737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).