N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide

C15H18N4O2 — CID 131921279

IUPACN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(c2ncccn2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O2/c20-14(13-4-9-21-11-13)18-10-12-2-7-19(8-3-12)15-16-5-1-6-17-15/h1,4-6,9,11-12H,2-3,7-8,10H2,(H,18,20)
InChIKeyVTUZMXPPWFGIJO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.72
Rot. Bonds4

About N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide

N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide (PubChem CID 131921279) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
PubChem CID131921279
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
SMILESO=C(NCC1CCN(c2ncccn2)CC1)c1ccoc1
InChIInChI=1S/C15H18N4O2/c20-14(13-4-9-21-11-13)18-10-12-2-7-19(8-3-12)15-16-5-1-6-17-15/h1,4-6,9,11-12H,2-3,7-8,10H2,(H,18,20)
InChIKeyVTUZMXPPWFGIJO-UHFFFAOYSA-N
XLogP1.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 137242292
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
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
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131930942
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide (CID 131921279) is N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide is O=C(NCC1CCN(c2ncccn2)CC1)c1ccoc1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide?
The InChIKey is VTUZMXPPWFGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(13-4-9-21-11-13)18-10-12-2-7-19(8-3-12)15-16-5-1-6-17-15/h1,4-6,9,11-12H,2-3,7-8,10H2,(H,18,20).
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide?
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 131921279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).