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

C19H27N3O2 — CID 113078894

IUPACoxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c23-19(18-4-3-15-24-18)22-13-11-21(12-14-22)17-7-5-16(6-8-17)20-9-1-2-10-20/h5-8,18H,1-4,9-15H2
InChIKeyLHECQLQMCDJPBG-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.11
Rot. Bonds3

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

oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113078894) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
PubChem CID113078894
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nameoxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c23-19(18-4-3-15-24-18)22-13-11-21(12-14-22)17-7-5-16(6-8-17)20-9-1-2-10-20/h5-8,18H,1-4,9-15H2
InChIKeyLHECQLQMCDJPBG-UHFFFAOYSA-N
XLogP2.11
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 93074923

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (CID 113078894) is oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is LHECQLQMCDJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-19(18-4-3-15-24-18)22-13-11-21(12-14-22)17-7-5-16(6-8-17)20-9-1-2-10-20/h5-8,18H,1-4,9-15H2.
What are the key properties of oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113078894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).