oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

C15H21N3O2 — CID 74232487

IUPACoxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H21N3O2/c19-15(14-3-1-2-12-20-14)18-10-8-17(9-11-18)13-4-6-16-7-5-13/h4-7,14H,1-3,8-12H2
InChIKeySRFGMIGHZVUART-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.30
Rot. Bonds2

About oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone

oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 74232487) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID74232487
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameoxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C15H21N3O2/c19-15(14-3-1-2-12-20-14)18-10-8-17(9-11-18)13-4-6-16-7-5-13/h4-7,14H,1-3,8-12H2
InChIKeySRFGMIGHZVUART-UHFFFAOYSA-N
XLogP1.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 74232487) is oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(C1CCCCO1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is SRFGMIGHZVUART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(14-3-1-2-12-20-14)18-10-8-17(9-11-18)13-4-6-16-7-5-13/h4-7,14H,1-3,8-12H2.
What are the key properties of oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 74232487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).