3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C18H26N2O2 — CID 84577370

IUPAC3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCC1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(7-6-16-8-14-22-15-9-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyHAIXBZKEZWYUNN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds4

About 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 84577370) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID84577370
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCC1CCOCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(7-6-16-8-14-22-15-9-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyHAIXBZKEZWYUNN-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one
CID 134089921
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
3-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42516202
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate
CID 42533077
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42101690
1-(4-phenylpiperazin-1-yl)hex-5-yn-1-one
CID 138529966
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 84577370) is 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCC1CCOCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is HAIXBZKEZWYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(7-6-16-8-14-22-15-9-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-5,16H,6-15H2.
What are the key properties of 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 84577370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).