oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone

C21H24N2O3 — CID 110662200

IUPACoxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(20-7-4-16-25-20)23-14-12-22(13-15-23)17-8-10-19(11-9-17)26-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyHVFTVJCIJXVDLI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.31
Rot. Bonds4

About oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone (PubChem CID 110662200) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
PubChem CID110662200
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameoxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c24-21(20-7-4-16-25-20)23-14-12-22(13-15-23)17-8-10-19(11-9-17)26-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyHVFTVJCIJXVDLI-UHFFFAOYSA-N
XLogP3.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110220018
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
phenyl 2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanesulfonate
CID 18292590
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone (CID 110662200) is oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HVFTVJCIJXVDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(20-7-4-16-25-20)23-14-12-22(13-15-23)17-8-10-19(11-9-17)26-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2.
What are the key properties of oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110662200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).