1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one

C17H33N3O — CID 66203874

IUPAC1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-17(21)20-12-10-19(11-13-20)16-14-18-15-16/h16,18H,2-15H2,1H3
InChIKeyFOFHUFHOKMTDFU-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.24
Rot. Bonds9

About 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one

1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one (PubChem CID 66203874) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one.

Molecular Properties

Compound Name1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one
PubChem CID66203874
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-17(21)20-12-10-19(11-13-20)16-14-18-15-16/h16,18H,2-15H2,1H3
InChIKeyFOFHUFHOKMTDFU-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one 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

1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one?
The IUPAC name of 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one (CID 66203874) is 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one.
What is the SMILES notation for 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one?
The canonical SMILES for 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one is CCCCCCCCCC(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one?
The InChIKey is FOFHUFHOKMTDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-3-4-5-6-7-8-9-17(21)20-12-10-19(11-13-20)16-14-18-15-16/h16,18H,2-15H2,1H3.
What are the key properties of 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one?
1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yl)piperazin-1-yl]decan-1-one is sourced from PubChem (CID 66203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).