1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one

C19H28N2O2 — CID 69366891

IUPAC1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one
SMILESCC(=O)C(O)(c1cccc(N2CCNC(C)C2)c1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-14-13-21(11-10-20-14)18-9-5-8-17(12-18)19(23,15(2)22)16-6-3-4-7-16/h5,8-9,12,14,16,20,23H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyFSJFDDOIGHIXTF-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one

1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one (PubChem CID 69366891) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one
PubChem CID69366891
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one
SMILESCC(=O)C(O)(c1cccc(N2CCNC(C)C2)c1)C1CCCC1
InChIInChI=1S/C19H28N2O2/c1-14-13-21(11-10-20-14)18-9-5-8-17(12-18)19(23,15(2)22)16-6-3-4-7-16/h5,8-9,12,14,16,20,23H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyFSJFDDOIGHIXTF-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one?
The IUPAC name of 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one (CID 69366891) is 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one?
The canonical SMILES for 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one is CC(=O)C(O)(c1cccc(N2CCNC(C)C2)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one?
The InChIKey is FSJFDDOIGHIXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-13-21(11-10-20-14)18-9-5-8-17(12-18)19(23,15(2)22)16-6-3-4-7-16/h5,8-9,12,14,16,20,23H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one?
1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-hydroxy-1-[3-(3-methylpiperazin-1-yl)phenyl]propan-2-one is sourced from PubChem (CID 69366891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).