3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one

C19H23Cl3N2O3 — CID 112821184

IUPAC3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1
InChIInChI=1S/C19H23Cl3N2O3/c20-13-11-14(21)18(26)16(17(13)22)19(27)24-9-7-23(8-10-24)15(25)6-5-12-3-1-2-4-12/h11-12,26H,1-10H2
InChIKeyZWRURUDRPYPYRR-UHFFFAOYSA-N
MW433.76 g/mol
LogP4.61
Rot. Bonds4

About 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 112821184) has the molecular formula C19H23Cl3N2O3 and a molecular weight of 433.76 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID112821184
Molecular FormulaC19H23Cl3N2O3
Molecular Weight433.76 g/mol
Exact Mass432.08
IUPAC Name3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1
InChIInChI=1S/C19H23Cl3N2O3/c20-13-11-14(21)18(26)16(17(13)22)19(27)24-9-7-23(8-10-24)15(25)6-5-12-3-1-2-4-12/h11-12,26H,1-10H2
InChIKeyZWRURUDRPYPYRR-UHFFFAOYSA-N
XLogP4.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.76
LogP ≤ 54.61
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-ethylpiperidin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112821470
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 134020932
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 51124376
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120684948
1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108535677
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
1-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108546184
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one (CID 112821184) is 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZWRURUDRPYPYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl3N2O3/c20-13-11-14(21)18(26)16(17(13)22)19(27)24-9-7-23(8-10-24)15(25)6-5-12-3-1-2-4-12/h11-12,26H,1-10H2.
What are the key properties of 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 433.76 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 112821184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).