[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C22H23ClN2O3 — CID 86272765

IUPAC[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C22H23ClN2O3/c23-19-4-1-3-18(15-19)16-6-8-17(9-7-16)21(26)24-10-12-25(13-11-24)22(27)20-5-2-14-28-20/h1,3-4,6-9,15,20H,2,5,10-14H2/t20-/m0/s1
InChIKeyNGYBJHWAWUSJBZ-FQEVSTJZSA-N
MW398.89 g/mol
LogP3.47
Rot. Bonds3

About [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 86272765) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID86272765
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C22H23ClN2O3/c23-19-4-1-3-18(15-19)16-6-8-17(9-7-16)21(26)24-10-12-25(13-11-24)22(27)20-5-2-14-28-20/h1,3-4,6-9,15,20H,2,5,10-14H2/t20-/m0/s1
InChIKeyNGYBJHWAWUSJBZ-FQEVSTJZSA-N
XLogP3.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274440
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
CID 139377347
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 37399558
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 167937168
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 86272765) is [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is NGYBJHWAWUSJBZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-19-4-1-3-18(15-19)16-6-8-17(9-7-16)21(26)24-10-12-25(13-11-24)22(27)20-5-2-14-28-20/h1,3-4,6-9,15,20H,2,5,10-14H2/t20-/m0/s1.
What are the key properties of [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 398.89 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 86272765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).