cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C18H26N4O2 — CID 53185876

IUPACcyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C18H26N4O2/c23-18(14-5-4-6-14)22-10-7-15(12-22)24-17-11-16(19-13-20-17)21-8-2-1-3-9-21/h11,13-15H,1-10,12H2
InChIKeyVVKHXANFSPQZLX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.25
Rot. Bonds4

About cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 53185876) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID53185876
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Namecyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C18H26N4O2/c23-18(14-5-4-6-14)22-10-7-15(12-22)24-17-11-16(19-13-20-17)21-8-2-1-3-9-21/h11,13-15H,1-10,12H2
InChIKeyVVKHXANFSPQZLX-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 53185876) is cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is VVKHXANFSPQZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-18(14-5-4-6-14)22-10-7-15(12-22)24-17-11-16(19-13-20-17)21-8-2-1-3-9-21/h11,13-15H,1-10,12H2.
What are the key properties of cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).