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

C14H19FN6O2 — CID 91814112

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN6O2/c15-11-8-17-12(18-9-11)20-4-1-10(2-5-20)7-19-14(23)21-6-3-16-13(21)22/h8-10H,1-7H2,(H,16,22)(H,19,23)
InChIKeyYOUNISSSAZRKEM-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.57
Rot. Bonds3

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

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 91814112) has the molecular formula C14H19FN6O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID91814112
Molecular FormulaC14H19FN6O2
Molecular Weight322.34 g/mol
Exact Mass322.16
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN6O2/c15-11-8-17-12(18-9-11)20-4-1-10(2-5-20)7-19-14(23)21-6-3-16-13(21)22/h8-10H,1-7H2,(H,16,22)(H,19,23)
InChIKeyYOUNISSSAZRKEM-UHFFFAOYSA-N
XLogP0.57
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide (CID 91814112) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide is O=C1NCCN1C(=O)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is YOUNISSSAZRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O2/c15-11-8-17-12(18-9-11)20-4-1-10(2-5-20)7-19-14(23)21-6-3-16-13(21)22/h8-10H,1-7H2,(H,16,22)(H,19,23).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91814112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).