4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde

C12H20N2O2 — CID 110850251

IUPAC4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c15-10-13-5-7-14(8-6-13)12(16)9-11-3-1-2-4-11/h10-11H,1-9H2
InChIKeyXFCVCHQQBJDDPD-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.87
Rot. Bonds3

About 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde

4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde (PubChem CID 110850251) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
PubChem CID110850251
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C12H20N2O2/c15-10-13-5-7-14(8-6-13)12(16)9-11-3-1-2-4-11/h10-11H,1-9H2
InChIKeyXFCVCHQQBJDDPD-UHFFFAOYSA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.87
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

4-[2-(thian-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110850174
4-[2-(thian-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850176
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560
N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113159226
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde (CID 110850251) is 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde?
The InChIKey is XFCVCHQQBJDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-10-13-5-7-14(8-6-13)12(16)9-11-3-1-2-4-11/h10-11H,1-9H2.
What are the key properties of 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde?
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde has a molecular weight of 224.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).