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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Related Compounds

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CID 57963425
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CID 57963470
CID 57963470
CID 57963510
CID 57963510
CID 58190313
CID 58190313
CID 58190326
CID 58190326
CID 58190327
CID 58190327
CID 58190350
CID 58190350
CID 58190356
CID 58190356
CID 58190358
CID 58190358

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).