[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

C23H28N2O3 — CID 51673103

IUPAC[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-24-13-14-25(22(16-24)18-6-3-2-4-7-18)23(26)19-9-11-20(12-10-19)28-17-21-8-5-15-27-21/h2-4,6-7,9-12,21-22H,5,8,13-17H2,1H3/t21-,22-/m0/s1
InChIKeyKVBIJFHUWCREIM-VXKWHMMOSA-N
MW380.49 g/mol
LogP3.37
Rot. Bonds5

About [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone

[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (PubChem CID 51673103) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
PubChem CID51673103
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-24-13-14-25(22(16-24)18-6-3-2-4-7-18)23(26)19-9-11-20(12-10-19)28-17-21-8-5-15-27-21/h2-4,6-7,9-12,21-22H,5,8,13-17H2,1H3/t21-,22-/m0/s1
InChIKeyKVBIJFHUWCREIM-VXKWHMMOSA-N
XLogP3.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533896
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901252
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
(2R)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 34230461
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 9461544

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The IUPAC name of [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone (CID 51673103) is [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](c2ccccc2)C1.
What is the InChIKey of [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
The InChIKey is KVBIJFHUWCREIM-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-24-13-14-25(22(16-24)18-6-3-2-4-7-18)23(26)19-9-11-20(12-10-19)28-17-21-8-5-15-27-21/h2-4,6-7,9-12,21-22H,5,8,13-17H2,1H3/t21-,22-/m0/s1.
What are the key properties of [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone?
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 51673103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).