2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C17H22N4O3 — CID 154851333

IUPAC2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C1CC(C2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CN1
InChIInChI=1S/C17H22N4O3/c22-14-7-12(9-18-14)10-3-5-21(6-4-10)17(24)13-8-15(23)20-16(19-13)11-1-2-11/h8,10-12H,1-7,9H2,(H,18,22)(H,19,20,23)
InChIKeyACUYUKQPEMKKKB-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.64
Rot. Bonds3

About 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 154851333) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID154851333
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C1CC(C2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CN1
InChIInChI=1S/C17H22N4O3/c22-14-7-12(9-18-14)10-3-5-21(6-4-10)17(24)13-8-15(23)20-16(19-13)11-1-2-11/h8,10-12H,1-7,9H2,(H,18,22)(H,19,20,23)
InChIKeyACUYUKQPEMKKKB-UHFFFAOYSA-N
XLogP0.64
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 154851333) is 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C1CC(C2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CN1.
What is the InChIKey of 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is ACUYUKQPEMKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-14-7-12(9-18-14)10-3-5-21(6-4-10)17(24)13-8-15(23)20-16(19-13)11-1-2-11/h8,10-12H,1-7,9H2,(H,18,22)(H,19,20,23).
What are the key properties of 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 330.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(5-oxopyrrolidin-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154851333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).