N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

C12H18N4O4S — CID 71795731

IUPACN-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C12H18N4O4S/c1-20-11-7-10(13-8-14-11)15-12(17)9-3-5-16(6-4-9)21(2,18)19/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyMJFRLEGBOXVILA-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.10
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71795731) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71795731
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C12H18N4O4S/c1-20-11-7-10(13-8-14-11)15-12(17)9-3-5-16(6-4-9)21(2,18)19/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyMJFRLEGBOXVILA-UHFFFAOYSA-N
XLogP0.10
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 71795731) is N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is MJFRLEGBOXVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-11-7-10(13-8-14-11)15-12(17)9-3-5-16(6-4-9)21(2,18)19/h7-9H,3-6H2,1-2H3,(H,13,14,15,17).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71795731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).