(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone

C22H26N2O2 — CID 3860526

IUPAC(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2
InChIKeyOOXCYJBCWHTHFJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.10
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 3860526) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID3860526
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2
InChIKeyOOXCYJBCWHTHFJ-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137332293
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1-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 11144455
(4-Benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 2088777
2-(2-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6465369
2-(4-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6471054
[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 16276669
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
N-benzyl-2-(4-fluorophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 53384012
4-[(4-Methylphenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 2971292
N-(diphenylmethyl)oxolane-2-carboxamide
CID 3155117
1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233551

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 3860526) is (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is OOXCYJBCWHTHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 3860526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).