N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide

C15H18N4O3 — CID 137242292

IUPACN-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(=O)[nH]cn2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O3/c20-14-7-13(17-10-18-14)19-4-1-11(2-5-19)8-16-15(21)12-3-6-22-9-12/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,21)(H,17,18,20)
InChIKeyFKLCUIOCGOVRHT-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.01
Rot. Bonds4

About N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide

N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 137242292) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID137242292
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(=O)[nH]cn2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O3/c20-14-7-13(17-10-18-14)19-4-1-11(2-5-19)8-16-15(21)12-3-6-22-9-12/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,21)(H,17,18,20)
InChIKeyFKLCUIOCGOVRHT-UHFFFAOYSA-N
XLogP1.01
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 137242292) is N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide is O=C(NCC1CCN(c2cc(=O)[nH]cn2)CC1)c1ccoc1.
What is the InChIKey of N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is FKLCUIOCGOVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-14-7-13(17-10-18-14)19-4-1-11(2-5-19)8-16-15(21)12-3-6-22-9-12/h3,6-7,9-11H,1-2,4-5,8H2,(H,16,21)(H,17,18,20).
What are the key properties of N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 137242292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).