1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one

C20H30N2O2 — CID 10246087

IUPAC1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one
SMILESCCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-11-21-12-14-22(15-13-21)16-19(23)20(24,18-9-6-10-18)17-7-4-3-5-8-17/h3-5,7-8,18,24H,2,6,9-16H2,1H3
InChIKeyWVAQPRILABNQGV-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.27
Rot. Bonds7

About 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one

1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one (PubChem CID 10246087) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one
PubChem CID10246087
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one
SMILESCCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C20H30N2O2/c1-2-11-21-12-14-22(15-13-21)16-19(23)20(24,18-9-6-10-18)17-7-4-3-5-8-17/h3-5,7-8,18,24H,2,6,9-16H2,1H3
InChIKeyWVAQPRILABNQGV-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131987
CID 131987
CID 192358
CID 192358
CID 9840500
CID 9840500
CID 9974679
CID 9974679
CID 9998398
CID 9998398
CID 10023882
CID 10023882
CID 10043038
CID 10043038
CID 10064964
CID 10064964
CID 10247985
CID 10247985
CID 10313700
CID 10313700
CID 10314723
CID 10314723
CID 10334313
CID 10334313

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one (CID 10246087) is 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one is CCCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one?
The InChIKey is WVAQPRILABNQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-11-21-12-14-22(15-13-21)16-19(23)20(24,18-9-6-10-18)17-7-4-3-5-8-17/h3-5,7-8,18,24H,2,6,9-16H2,1H3.
What are the key properties of 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one?
1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one has a molecular weight of 330.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-hydroxy-1-phenyl-3-(4-propylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 10246087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).