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

C19H24N2O3 — CID 7831176

IUPAC[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N2O3/c22-17(16-7-4-14-24-16)20-10-12-21(13-11-20)18(23)19(8-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2/t16-/m0/s1
InChIKeyPICCBTQBQGSHPY-INIZCTEOSA-N
MW328.41 g/mol
LogP1.57
Rot. Bonds3

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

[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 7831176) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID7831176
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H24N2O3/c22-17(16-7-4-14-24-16)20-10-12-21(13-11-20)18(23)19(8-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2/t16-/m0/s1
InChIKeyPICCBTQBQGSHPY-INIZCTEOSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 90503603
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone (CID 7831176) is [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is PICCBTQBQGSHPY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(16-7-4-14-24-16)20-10-12-21(13-11-20)18(23)19(8-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2/t16-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 1.57, 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-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7831176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).