[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C16H20ClFN2O2 — CID 7346802

IUPAC[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H20ClFN2O2/c17-14-10-13(18)4-3-12(14)11-19-5-7-20(8-6-19)16(21)15-2-1-9-22-15/h3-4,10,15H,1-2,5-9,11H2/t15-/m0/s1
InChIKeyLNDQUXHKNKECJD-HNNXBMFYSA-N
MW326.80 g/mol
LogP2.30
Rot. Bonds3

About [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 7346802) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID7346802
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H20ClFN2O2/c17-14-10-13(18)4-3-12(14)11-19-5-7-20(8-6-19)16(21)15-2-1-9-22-15/h3-4,10,15H,1-2,5-9,11H2/t15-/m0/s1
InChIKeyLNDQUXHKNKECJD-HNNXBMFYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2957283
[4-(2-Chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4800484
1-(4-Methylbenzyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2971292
4-[(2-Fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 6469370
(E)-3-(3-chloro-4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 16295213
[4-[2-Amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51001130
oxolan-2-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 5875673
N-(2-chloro-6-fluorobenzyl)-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
CID 50985201
1-(4-Fluorobenzyl)-4-[(2-methyltetrahydrofuran-2-yl)carbonyl]piperazin-2-one
CID 56753009
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95318673
N-[[8-[(2-chloro-6-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 126463260

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 7346802) is [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is LNDQUXHKNKECJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c17-14-10-13(18)4-3-12(14)11-19-5-7-20(8-6-19)16(21)15-2-1-9-22-15/h3-4,10,15H,1-2,5-9,11H2/t15-/m0/s1.
What are the key properties of [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 326.80 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 7346802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).