4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde

C18H23ClN2O2 — CID 110408599

IUPAC4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(c2ccc(Cl)cc2)C2CCCC2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-16-7-5-15(6-8-16)17(14-3-1-2-4-14)18(23)21-11-9-20(13-22)10-12-21/h5-8,13-14,17H,1-4,9-12H2
InChIKeyZSPAXDOWPWHCLD-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.91
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde

4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde (PubChem CID 110408599) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
PubChem CID110408599
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(c2ccc(Cl)cc2)C2CCCC2)CC1
InChIInChI=1S/C18H23ClN2O2/c19-16-7-5-15(6-8-16)17(14-3-1-2-4-14)18(23)21-11-9-20(13-22)10-12-21/h5-8,13-14,17H,1-4,9-12H2
InChIKeyZSPAXDOWPWHCLD-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-2-cyclopropylethanone
CID 110301107
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110301118
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
2-(4-chlorophenyl)-2-cyclopropyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110311064
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617224
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
4-[2-(4-chloroanilino)acetyl]piperazine-1-carbaldehyde
CID 108995977
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 45018644

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde (CID 110408599) is 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C(c2ccc(Cl)cc2)C2CCCC2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde?
The InChIKey is ZSPAXDOWPWHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-16-7-5-15(6-8-16)17(14-3-1-2-4-14)18(23)21-11-9-20(13-22)10-12-21/h5-8,13-14,17H,1-4,9-12H2.
What are the key properties of 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde?
4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde has a molecular weight of 334.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110408599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).