3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide

C17H27FN6O2 — CID 167263160

IUPAC3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N)C1COC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H27FN6O2/c1-22(2)17(25)24-8-5-14(19)15(24)11-26-13-3-6-23(7-4-13)16-20-9-12(18)10-21-16/h9-10,13-15H,3-8,11,19H2,1-2H3
InChIKeyCFXREPVXSIXVOM-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide

3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 167263160) has the molecular formula C17H27FN6O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID167263160
Molecular FormulaC17H27FN6O2
Molecular Weight366.44 g/mol
Exact Mass366.22
IUPAC Name3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N)C1COC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H27FN6O2/c1-22(2)17(25)24-8-5-14(19)15(24)11-26-13-3-6-23(7-4-13)16-20-9-12(18)10-21-16/h9-10,13-15H,3-8,11,19H2,1-2H3
InChIKeyCFXREPVXSIXVOM-UHFFFAOYSA-N
XLogP0.68
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide (CID 167263160) is 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC(N)C1COC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is CFXREPVXSIXVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN6O2/c1-22(2)17(25)24-8-5-14(19)15(24)11-26-13-3-6-23(7-4-13)16-20-9-12(18)10-21-16/h9-10,13-15H,3-8,11,19H2,1-2H3.
What are the key properties of 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide?
3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 167263160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).