N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C15H24N4O3 — CID 53107372

IUPACN-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1
InChIInChI=1S/C15H24N4O3/c1-4-16-14(21)11-7-6-8-18(10-11)12-9-13(20)17(3)15(22)19(12)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyJJWAPPOZVCYUIA-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.08
Rot. Bonds4

About N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53107372) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53107372
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1
InChIInChI=1S/C15H24N4O3/c1-4-16-14(21)11-7-6-8-18(10-11)12-9-13(20)17(3)15(22)19(12)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyJJWAPPOZVCYUIA-UHFFFAOYSA-N
XLogP-0.08
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53107372) is N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is CCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2CC)C1.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is JJWAPPOZVCYUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-16-14(21)11-7-6-8-18(10-11)12-9-13(20)17(3)15(22)19(12)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,21).
What are the key properties of N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53107372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).