1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide

C13H20N4O3 — CID 90489830

IUPAC1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide
SMILESCCCn1c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-5-17-11(18)8-10(15-13(17)20)16-6-3-9(4-7-16)12(14)19/h8-9H,2-7H2,1H3,(H2,14,19)(H,15,20)
InChIKeyXZHKFCBRGSWDHL-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.35
Rot. Bonds4

About 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide

1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide (PubChem CID 90489830) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide
PubChem CID90489830
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide
SMILESCCCn1c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-2-5-17-11(18)8-10(15-13(17)20)16-6-3-9(4-7-16)12(14)19/h8-9H,2-7H2,1H3,(H2,14,19)(H,15,20)
InChIKeyXZHKFCBRGSWDHL-UHFFFAOYSA-N
XLogP-0.35
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide (CID 90489830) is 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide is CCCn1c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide?
The InChIKey is XZHKFCBRGSWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-5-17-11(18)8-10(15-13(17)20)16-6-3-9(4-7-16)12(14)19/h8-9H,2-7H2,1H3,(H2,14,19)(H,15,20).
What are the key properties of 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide?
1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90489830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).