4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde

C10H18N2O3 — CID 82113570

IUPAC4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
SMILESCC(O)CCC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(14)2-3-10(15)12-6-4-11(8-13)5-7-12/h8-9,14H,2-7H2,1H3
InChIKeyGHGUXIZKRAFOTH-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.55
Rot. Bonds4

About 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde

4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde (PubChem CID 82113570) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
PubChem CID82113570
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
SMILESCC(O)CCC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(14)2-3-10(15)12-6-4-11(8-13)5-7-12/h8-9,14H,2-7H2,1H3
InChIKeyGHGUXIZKRAFOTH-UHFFFAOYSA-N
XLogP-0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
CID 113122823
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
methyl N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112991841
4-[3-(4-propan-2-ylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017850
4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
CID 90877548
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde (CID 82113570) is 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde is CC(O)CCC(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde?
The InChIKey is GHGUXIZKRAFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(14)2-3-10(15)12-6-4-11(8-13)5-7-12/h8-9,14H,2-7H2,1H3.
What are the key properties of 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde?
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82113570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).