1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C16H24N6O2 — CID 126899571

IUPAC1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1cc(N2CCC(N3CC(C(N)=O)CC3=O)CC2)ncn1
InChIInChI=1S/C16H24N6O2/c1-20(2)13-8-14(19-10-18-13)21-5-3-12(4-6-21)22-9-11(16(17)24)7-15(22)23/h8,10-12H,3-7,9H2,1-2H3,(H2,17,24)
InChIKeyWSKSVVVKNZVGIM-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.15
Rot. Bonds4

About 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 126899571) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID126899571
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1cc(N2CCC(N3CC(C(N)=O)CC3=O)CC2)ncn1
InChIInChI=1S/C16H24N6O2/c1-20(2)13-8-14(19-10-18-13)21-5-3-12(4-6-21)22-9-11(16(17)24)7-15(22)23/h8,10-12H,3-7,9H2,1-2H3,(H2,17,24)
InChIKeyWSKSVVVKNZVGIM-UHFFFAOYSA-N
XLogP-0.15
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 126899571) is 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1cc(N2CCC(N3CC(C(N)=O)CC3=O)CC2)ncn1.
What is the InChIKey of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSKSVVVKNZVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20(2)13-8-14(19-10-18-13)21-5-3-12(4-6-21)22-9-11(16(17)24)7-15(22)23/h8,10-12H,3-7,9H2,1-2H3,(H2,17,24).
What are the key properties of 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126899571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).