N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide

C18H28N4O2 — CID 135963523

IUPACN-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCC1CCN(c2nc(CNC(=O)C3CCCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-7-9-22(10-8-13)18-20-15(11-16(23)21-18)12-19-17(24)14-5-3-2-4-6-14/h11,13-14H,2-10,12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyNXSWVYRHALUNNA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.20
Rot. Bonds4

About N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide

N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 135963523) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide
PubChem CID135963523
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide
SMILESCC1CCN(c2nc(CNC(=O)C3CCCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-7-9-22(10-8-13)18-20-15(11-16(23)21-18)12-19-17(24)14-5-3-2-4-6-14/h11,13-14H,2-10,12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyNXSWVYRHALUNNA-UHFFFAOYSA-N
XLogP2.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide (CID 135963523) is N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide is CC1CCN(c2nc(CNC(=O)C3CCCCC3)cc(=O)[nH]2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is NXSWVYRHALUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-7-9-22(10-8-13)18-20-15(11-16(23)21-18)12-19-17(24)14-5-3-2-4-6-14/h11,13-14H,2-10,12H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide?
N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 135963523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).