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

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Related Compounds

2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
CID 131921279
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321
N-[[(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 164631936
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
CID 131900099
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861

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).