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

C18H26N2O2 — CID 110399555

IUPACoxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
SMILESCC(Cc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H26N2O2/c1-15(14-16-6-3-2-4-7-16)19-9-11-20(12-10-19)18(21)17-8-5-13-22-17/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyISUZXUGNJKWZDJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.94
Rot. Bonds4

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

oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone (PubChem CID 110399555) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
PubChem CID110399555
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nameoxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
SMILESCC(Cc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H26N2O2/c1-15(14-16-6-3-2-4-7-16)19-9-11-20(12-10-19)18(21)17-8-5-13-22-17/h2-4,6-7,15,17H,5,8-14H2,1H3
InChIKeyISUZXUGNJKWZDJ-UHFFFAOYSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 134109844
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
N-(2-methyl-1-phenylpropyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86914120
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
CID 2025294
1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399548
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone (CID 110399555) is oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone is CC(Cc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone?
The InChIKey is ISUZXUGNJKWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15(14-16-6-3-2-4-7-16)19-9-11-20(12-10-19)18(21)17-8-5-13-22-17/h2-4,6-7,15,17H,5,8-14H2,1H3.
What are the key properties of oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110399555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).