N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C15H21FN6O4S — CID 91814119

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23)
InChIKeyJCPPLXZSNYOJMG-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.24
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 91814119) has the molecular formula C15H21FN6O4S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID91814119
Molecular FormulaC15H21FN6O4S
Molecular Weight400.44 g/mol
Exact Mass400.13
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23)
InChIKeyJCPPLXZSNYOJMG-UHFFFAOYSA-N
XLogP0.24
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 91814119) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is JCPPLXZSNYOJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).