ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate

C16H26N4O3 — CID 50985175

IUPACethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C16H26N4O3/c1-4-23-16(22)19-8-5-14(6-9-19)17-7-10-20-13(3)11-12(2)18-15(20)21/h11,14,17H,4-10H2,1-3H3
InChIKeyUWEXKVWQDMZGJF-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.07
Rot. Bonds5

About ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 50985175) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate
PubChem CID50985175
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nameethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C16H26N4O3/c1-4-23-16(22)19-8-5-14(6-9-19)17-7-10-20-13(3)11-12(2)18-15(20)21/h11,14,17H,4-10H2,1-3H3
InChIKeyUWEXKVWQDMZGJF-UHFFFAOYSA-N
XLogP1.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate (CID 50985175) is ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCn2c(C)cc(C)nc2=O)CC1.
What is the InChIKey of ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is UWEXKVWQDMZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-23-16(22)19-8-5-14(6-9-19)17-7-10-20-13(3)11-12(2)18-15(20)21/h11,14,17H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50985175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).