3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H24N4O2 — CID 126944987

IUPAC3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1C(N2CCC(Cn3cnccc3=O)CC2)CCN1C1CC1
InChIInChI=1S/C17H24N4O2/c22-16-3-7-18-12-20(16)11-13-4-8-19(9-5-13)15-6-10-21(17(15)23)14-1-2-14/h3,7,12-15H,1-2,4-6,8-11H2
InChIKeyPBRDQKMYODRHMJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.72
Rot. Bonds4

About 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944987) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944987
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1C(N2CCC(Cn3cnccc3=O)CC2)CCN1C1CC1
InChIInChI=1S/C17H24N4O2/c22-16-3-7-18-12-20(16)11-13-4-8-19(9-5-13)15-6-10-21(17(15)23)14-1-2-14/h3,7,12-15H,1-2,4-6,8-11H2
InChIKeyPBRDQKMYODRHMJ-UHFFFAOYSA-N
XLogP0.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944987) is 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C1C(N2CCC(Cn3cnccc3=O)CC2)CCN1C1CC1.
What is the InChIKey of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is PBRDQKMYODRHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16-3-7-18-12-20(16)11-13-4-8-19(9-5-13)15-6-10-21(17(15)23)14-1-2-14/h3,7,12-15H,1-2,4-6,8-11H2.
What are the key properties of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).