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

C22H24N2O3 — CID 4782471

IUPACoxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyAVLYVKPANXQIGA-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.82
Rot. Bonds3

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

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone (PubChem CID 4782471) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
PubChem CID4782471
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Nameoxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2
InChIKeyAVLYVKPANXQIGA-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274440
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954933
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
CID 110801198

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone (CID 4782471) is oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is AVLYVKPANXQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)23-12-14-24(15-13-23)22(26)20-7-4-16-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2.
What are the key properties of oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 364.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4782471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).