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

C16H21N3O3 — CID 138382865

IUPAC2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C16H21N3O3/c20-14-12(8-17-13(18-14)10-3-4-10)15(21)19-7-1-2-11(9-19)16(22)5-6-16/h8,10-11,22H,1-7,9H2,(H,17,18,20)
InChIKeyFUJRDFIERLVUKL-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.02
Rot. Bonds3

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

2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 138382865) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID138382865
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCCC(C2(O)CC2)C1
InChIInChI=1S/C16H21N3O3/c20-14-12(8-17-13(18-14)10-3-4-10)15(21)19-7-1-2-11(9-19)16(22)5-6-16/h8,10-11,22H,1-7,9H2,(H,17,18,20)
InChIKeyFUJRDFIERLVUKL-UHFFFAOYSA-N
XLogP1.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 138382865) is 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCCC(C2(O)CC2)C1.
What is the InChIKey of 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is FUJRDFIERLVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14-12(8-17-13(18-14)10-3-4-10)15(21)19-7-1-2-11(9-19)16(22)5-6-16/h8,10-11,22H,1-7,9H2,(H,17,18,20).
What are the key properties of 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 303.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138382865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).