2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide

C12H18N4O3 — CID 62044855

IUPAC2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1
InChIInChI=1S/C12H18N4O3/c1-7(8-3-2-4-13-5-8)15-10(17)9-6-14-12(19)16-11(9)18/h6-8,13H,2-5H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyAORWANFMWDLOPG-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.82
Rot. Bonds3

About 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 62044855) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID62044855
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1
InChIInChI=1S/C12H18N4O3/c1-7(8-3-2-4-13-5-8)15-10(17)9-6-14-12(19)16-11(9)18/h6-8,13H,2-5H2,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyAORWANFMWDLOPG-UHFFFAOYSA-N
XLogP-0.82
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide (CID 62044855) is 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide is CC(NC(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1.
What is the InChIKey of 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is AORWANFMWDLOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(8-3-2-4-13-5-8)15-10(17)9-6-14-12(19)16-11(9)18/h6-8,13H,2-5H2,1H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 62044855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).