(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone

C16H19Cl3N2O2 — CID 112821183

IUPAC(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H19Cl3N2O2/c17-11-9-12(18)15(22)13(14(11)19)16(23)21-7-5-20(6-8-21)10-3-1-2-4-10/h9-10,22H,1-8H2
InChIKeyCKJGAUMUKHZSCL-UHFFFAOYSA-N
MW377.70 g/mol
LogP4.05
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone (PubChem CID 112821183) has the molecular formula C16H19Cl3N2O2 and a molecular weight of 377.70 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
PubChem CID112821183
Molecular FormulaC16H19Cl3N2O2
Molecular Weight377.70 g/mol
Exact Mass376.05
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H19Cl3N2O2/c17-11-9-12(18)15(22)13(14(11)19)16(23)21-7-5-20(6-8-21)10-3-1-2-4-10/h9-10,22H,1-8H2
InChIKeyCKJGAUMUKHZSCL-UHFFFAOYSA-N
XLogP4.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 112821184
morpholin-4-yl-[1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidin-4-yl]methanone
CID 112820830
(3-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112821470
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(4-amino-2-chlorophenyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887171
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
(2,3-dichlorophenyl)-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
CID 91819175

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone (CID 112821183) is (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
The InChIKey is CKJGAUMUKHZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl3N2O2/c17-11-9-12(18)15(22)13(14(11)19)16(23)21-7-5-20(6-8-21)10-3-1-2-4-10/h9-10,22H,1-8H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone has a molecular weight of 377.70 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 112821183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).