3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one

C20H28N2O3 — CID 776686

IUPAC3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(11-10-17-6-4-5-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2
InChIKeyKNSHTZFYCWNUHJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.71
Rot. Bonds6

About 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one (PubChem CID 776686) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
PubChem CID776686
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(11-10-17-6-4-5-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2
InChIKeyKNSHTZFYCWNUHJ-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
2-phenoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2077625
3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
3-Cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 651244
1-[(4-Chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1072066
1-[4-[2-(4-Methoxyphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
CID 1530469
2-Phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 2852913
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
4-[(4-Methoxyphenyl)acetyl]morpholine
CID 763436
2-(4-Methylphenoxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 880785
1-(4-Bicyclo[2.2.1]hept-5-en-2-ylmethyl-piperazin-1-yl)-2-phenoxy-ethanone
CID 645954
1-[(2-Fluorophenoxy)acetyl]-4-methylpiperidine
CID 806175

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one (CID 776686) is 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is KNSHTZFYCWNUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(11-10-17-6-4-5-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-2-1-3-9-18/h1-3,8-9,17H,4-7,10-16H2.
What are the key properties of 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 344.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 776686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).