N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H22N4O3 — CID 91796125

IUPACN-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]c1=O
InChIInChI=1S/C15H22N4O3/c20-14-13(9-16-10-17-14)15(21)18-11-1-5-19(6-2-11)12-3-7-22-8-4-12/h9-12H,1-8H2,(H,18,21)(H,16,17,20)
InChIKeyCLOLNEWZFHLVQJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds3

About N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91796125) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91796125
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]c1=O
InChIInChI=1S/C15H22N4O3/c20-14-13(9-16-10-17-14)15(21)18-11-1-5-19(6-2-11)12-3-7-22-8-4-12/h9-12H,1-8H2,(H,18,21)(H,16,17,20)
InChIKeyCLOLNEWZFHLVQJ-UHFFFAOYSA-N
XLogP0.14
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72926350
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
N-(5-morpholin-4-ylpentyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91775144
ethyl 4-[(6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853947
4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
CID 126940625

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 91796125) is N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCN(C2CCOCC2)CC1)c1cnc[nH]c1=O.
What is the InChIKey of N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CLOLNEWZFHLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14-13(9-16-10-17-14)15(21)18-11-1-5-19(6-2-11)12-3-7-22-8-4-12/h9-12H,1-8H2,(H,18,21)(H,16,17,20).
What are the key properties of N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91796125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).