1-(5-chloropentyl)-4-methylpiperazine-2,5-dione

C10H17ClN2O2 — CID 79937384

IUPAC1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCCCCl)CC1=O
InChIInChI=1S/C10H17ClN2O2/c1-12-7-10(15)13(8-9(12)14)6-4-2-3-5-11/h2-8H2,1H3
InChIKeyRSSWTJDKJWVOOC-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.70
Rot. Bonds5

About 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione

1-(5-chloropentyl)-4-methylpiperazine-2,5-dione (PubChem CID 79937384) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
PubChem CID79937384
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-(5-chloropentyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCCCCl)CC1=O
InChIInChI=1S/C10H17ClN2O2/c1-12-7-10(15)13(8-9(12)14)6-4-2-3-5-11/h2-8H2,1H3
InChIKeyRSSWTJDKJWVOOC-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-((bis(2-chloroethyl)amino)acetyl)-, hydrochloride
CID 121164
Piperidine, 1-(2-(bis(2-chloroethyl)amino)propionyl)-, hydrochloride
CID 3064206
2-[4-(2-Chloroacetyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 172458121
4-Chloro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 4658757
2-[Bis(2-chloroethyl)amino]-1-piperidin-1-ylethanone
CID 121165
2-[Bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
1-Acetyl-4-(4-chlorobutanoyl)piperazine
CID 10192718
1-Acetyl-4-(3-chloropropyl)piperazine
CID 18413156
3-(2-Chloroethyl)-1,4-diethylpiperazin-2-one
CID 20398606
1-[4-(4-Chlorobutyl)piperazin-1-yl]ethanone
CID 20469936
5-Chloro-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 28733468
N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 60753349

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione (CID 79937384) is 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCCCCCl)CC1=O.
What is the InChIKey of 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione?
The InChIKey is RSSWTJDKJWVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-12-7-10(15)13(8-9(12)14)6-4-2-3-5-11/h2-8H2,1H3.
What are the key properties of 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione?
1-(5-chloropentyl)-4-methylpiperazine-2,5-dione has a molecular weight of 232.71 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).