N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide

C15H23N5O2 — CID 56742716

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCOC1
InChIInChI=1S/C15H23N5O2/c21-14(13-2-11-22-12-13)16-5-6-19-7-9-20(10-8-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H,16,21)
InChIKeyILEFQJOYTGQPSY-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide (PubChem CID 56742716) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide
PubChem CID56742716
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCOC1
InChIInChI=1S/C15H23N5O2/c21-14(13-2-11-22-12-13)16-5-6-19-7-9-20(10-8-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H,16,21)
InChIKeyILEFQJOYTGQPSY-UHFFFAOYSA-N
XLogP-0.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide (CID 56742716) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)C1CCOC1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is ILEFQJOYTGQPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14(13-2-11-22-12-13)16-5-6-19-7-9-20(10-8-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H,16,21).
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 56742716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).