N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide

C17H25N5O3 — CID 53185872

IUPACN-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C17H25N5O3/c1-13(23)18-10-17(24)22-8-5-14(11-22)25-16-9-15(19-12-20-16)21-6-3-2-4-7-21/h9,12,14H,2-8,10-11H2,1H3,(H,18,23)
InChIKeyNRIKQMKTYFDZJL-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.58
Rot. Bonds5

About N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide (PubChem CID 53185872) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide
PubChem CID53185872
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1
InChIInChI=1S/C17H25N5O3/c1-13(23)18-10-17(24)22-8-5-14(11-22)25-16-9-15(19-12-20-16)21-6-3-2-4-7-21/h9,12,14H,2-8,10-11H2,1H3,(H,18,23)
InChIKeyNRIKQMKTYFDZJL-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide (CID 53185872) is N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCC(Oc2cc(N3CCCCC3)ncn2)C1.
What is the InChIKey of N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is NRIKQMKTYFDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(23)18-10-17(24)22-8-5-14(11-22)25-16-9-15(19-12-20-16)21-6-3-2-4-7-21/h9,12,14H,2-8,10-11H2,1H3,(H,18,23).
What are the key properties of N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 53185872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).