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

C22H24N2O3 — CID 7873335

IUPAC[(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)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/t20-/m0/s1
InChIKeyAVLYVKPANXQIGA-FQEVSTJZSA-N
MW364.44 g/mol
LogP2.82
Rot. Bonds3

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

[(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone (PubChem CID 7873335) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
PubChem CID7873335
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name[(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)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/t20-/m0/s1
InChIKeyAVLYVKPANXQIGA-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone (CID 7873335) is [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is AVLYVKPANXQIGA-FQEVSTJZSA-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/t20-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone?
[(2S)-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 [(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7873335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).