1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

C14H24N4O2 — CID 18314259

IUPAC1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1(C(=O)N2CCCC2)CCNCC1
InChIInChI=1S/C14H24N4O2/c19-12(17-9-1-2-10-17)14(4-7-15-8-5-14)18-11-3-6-16-13(18)20/h15H,1-11H2,(H,16,20)
InChIKeyLNOGCXUHEQDXFD-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.15
Rot. Bonds2

About 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 18314259) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID18314259
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1(C(=O)N2CCCC2)CCNCC1
InChIInChI=1S/C14H24N4O2/c19-12(17-9-1-2-10-17)14(4-7-15-8-5-14)18-11-3-6-16-13(18)20/h15H,1-11H2,(H,16,20)
InChIKeyLNOGCXUHEQDXFD-UHFFFAOYSA-N
XLogP0.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 18314259) is 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is O=C1NCCCN1C1(C(=O)N2CCCC2)CCNCC1.
What is the InChIKey of 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is LNOGCXUHEQDXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c19-12(17-9-1-2-10-17)14(4-7-15-8-5-14)18-11-3-6-16-13(18)20/h15H,1-11H2,(H,16,20).
What are the key properties of 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrolidine-1-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 18314259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).