1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide

C14H22N4O3 — CID 53010405

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyZYYQMOSDJJBSRF-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.56
Rot. Bonds3

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide (PubChem CID 53010405) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
PubChem CID53010405
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyZYYQMOSDJJBSRF-UHFFFAOYSA-N
XLogP-0.56
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide (CID 53010405) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is ZYYQMOSDJJBSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-15-13(20)10-6-5-7-18(9-10)11-8-12(19)17(3)14(21)16(11)2/h8,10H,4-7,9H2,1-3H3,(H,15,20).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 53010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).