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

C19H28N4O2 — CID 53185881

IUPACcyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C19H28N4O2/c24-19(15-6-2-3-7-15)23-11-8-16(13-23)25-18-12-17(20-14-21-18)22-9-4-1-5-10-22/h12,14-16H,1-11,13H2
InChIKeyRDJRHVKRXUZXBK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.64
Rot. Bonds4

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

cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 53185881) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID53185881
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namecyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C19H28N4O2/c24-19(15-6-2-3-7-15)23-11-8-16(13-23)25-18-12-17(20-14-21-18)22-9-4-1-5-10-22/h12,14-16H,1-11,13H2
InChIKeyRDJRHVKRXUZXBK-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 53185881) is cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is RDJRHVKRXUZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19(15-6-2-3-7-15)23-11-8-16(13-23)25-18-12-17(20-14-21-18)22-9-4-1-5-10-22/h12,14-16H,1-11,13H2.
What are the key properties of cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).