cyclobutyl-(4-pentylpiperazin-1-yl)methanone

C14H26N2O — CID 113075121

IUPACcyclobutyl-(4-pentylpiperazin-1-yl)methanone
SMILESCCCCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-8-15-9-11-16(12-10-15)14(17)13-6-5-7-13/h13H,2-12H2,1H3
InChIKeyAHTYYHWNJGTQBP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds5

About cyclobutyl-(4-pentylpiperazin-1-yl)methanone

cyclobutyl-(4-pentylpiperazin-1-yl)methanone (PubChem CID 113075121) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclobutyl-(4-pentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-pentylpiperazin-1-yl)methanone
PubChem CID113075121
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecyclobutyl-(4-pentylpiperazin-1-yl)methanone
SMILESCCCCCN1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-8-15-9-11-16(12-10-15)14(17)13-6-5-7-13/h13H,2-12H2,1H3
InChIKeyAHTYYHWNJGTQBP-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutyl-(4-pentylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-ethyl-2-hexylguanidine
CID 111567285
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
[3-(aminomethyl)cyclohexyl]-(4-propylpiperazin-1-yl)methanone
CID 62808710
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
[4-(5-aminopentyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 43252118
4-octylpiperazine-1-carboxylic acid
CID 22047855

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-pentylpiperazin-1-yl)methanone?
The IUPAC name of cyclobutyl-(4-pentylpiperazin-1-yl)methanone (CID 113075121) is cyclobutyl-(4-pentylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-pentylpiperazin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(4-pentylpiperazin-1-yl)methanone is CCCCCN1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-(4-pentylpiperazin-1-yl)methanone?
The InChIKey is AHTYYHWNJGTQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-8-15-9-11-16(12-10-15)14(17)13-6-5-7-13/h13H,2-12H2,1H3.
What are the key properties of cyclobutyl-(4-pentylpiperazin-1-yl)methanone?
cyclobutyl-(4-pentylpiperazin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-pentylpiperazin-1-yl)methanone is sourced from PubChem (CID 113075121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).