1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid

C19H26N2O6 — CID 645114

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid
SMILESO=C(COc1ccccc1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c20-17(14-21-16-8-2-1-3-9-16)19-12-10-18(11-13-19)15-6-4-5-7-15;3-1(4)2(5)6/h1-3,8-9,15H,4-7,10-14H2;(H,3,4)(H,5,6)
InChIKeySBTNDHHHORHQCT-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.31
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid

1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid (PubChem CID 645114) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid
PubChem CID645114
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid
SMILESO=C(COc1ccccc1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c20-17(14-21-16-8-2-1-3-9-16)19-12-10-18(11-13-19)15-6-4-5-7-15;3-1(4)2(5)6/h1-3,8-9,15H,4-7,10-14H2;(H,3,4)(H,5,6)
InChIKeySBTNDHHHORHQCT-UHFFFAOYSA-N
XLogP1.31
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 138621471
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
2-Phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 2852913
1,4-Bis(phenoxyacetyl)piperazine
CID 1008511
2-(4-Chloro-phenoxy)-1-(4-cyclopentyl-piperazin-1-yl)-ethanone
CID 17369419
N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 45265527
1-(4-Bicyclo[2.2.1]hept-5-en-2-ylmethyl-piperazin-1-yl)-2-phenoxy-ethanone
CID 645954
1-(4-Bicyclo[2.2.1]hept-5-en-2-ylmethyl-piperazin-1-yl)-2-p-tolyloxy-ethanone
CID 652408
1-[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-2-phenoxyethanone
CID 660912
2-(4-Bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 1357308
4-{1-[(4-Chlorophenoxy)acetyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2913008

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid (CID 645114) is 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid is O=C(COc1ccccc1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid?
The InChIKey is SBTNDHHHORHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H2O4/c20-17(14-21-16-8-2-1-3-9-16)19-12-10-18(11-13-19)15-6-4-5-7-15;3-1(4)2(5)6/h1-3,8-9,15H,4-7,10-14H2;(H,3,4)(H,5,6).
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid?
1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid has a molecular weight of 378.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-phenoxyethanone;oxalic acid is sourced from PubChem (CID 645114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).