1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one

C22H30N2O2 — CID 10338238

IUPAC1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
SMILESC#CCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-13-23-14-16-24(17-15-23)18-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3,5-6,9-10,20,26H,4,7-8,11-18H2
InChIKeyCLVWIZLXTZIKFZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one

1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one (PubChem CID 10338238) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
PubChem CID10338238
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one
SMILESC#CCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C22H30N2O2/c1-2-13-23-14-16-24(17-15-23)18-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3,5-6,9-10,20,26H,4,7-8,11-18H2
InChIKeyCLVWIZLXTZIKFZ-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one (CID 10338238) is 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one is C#CCN1CCN(CC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one?
The InChIKey is CLVWIZLXTZIKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-13-23-14-16-24(17-15-23)18-21(25)22(26,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h1,3,5-6,9-10,20,26H,4,7-8,11-18H2.
What are the key properties of 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one?
1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one has a molecular weight of 354.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-1-phenyl-3-(4-prop-2-ynylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 10338238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).