2-(2-pentylpiperazin-1-yl)-1-phenylethanone

C17H26N2O — CID 66668802

IUPAC2-(2-pentylpiperazin-1-yl)-1-phenylethanone
SMILESCCCCCC1CNCCN1CC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-5-10-16-13-18-11-12-19(16)14-17(20)15-8-6-4-7-9-15/h4,6-9,16,18H,2-3,5,10-14H2,1H3
InChIKeyLWOKULKBQNMBEZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds7

About 2-(2-pentylpiperazin-1-yl)-1-phenylethanone

2-(2-pentylpiperazin-1-yl)-1-phenylethanone (PubChem CID 66668802) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-pentylpiperazin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-pentylpiperazin-1-yl)-1-phenylethanone
PubChem CID66668802
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-pentylpiperazin-1-yl)-1-phenylethanone
SMILESCCCCCC1CNCCN1CC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-2-3-5-10-16-13-18-11-12-19(16)14-17(20)15-8-6-4-7-9-15/h4,6-9,16,18H,2-3,5,10-14H2,1H3
InChIKeyLWOKULKBQNMBEZ-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butylpiperazin-1-yl)benzoic acid
CID 75088491
2-(2-pentylpiperazin-1-yl)aniline
CID 70084517
2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
CID 155756342
2-(2-methylpiperazin-1-yl)-1-[4-(2-phenylhydrazinyl)phenyl]ethanone
CID 155756355
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
[3-[3-(2-propylpiperazin-1-yl)propanoyl]phenyl] benzoate;dihydrochloride
CID 139759646
methyl 2-(2-butylpiperazin-1-yl)benzoate
CID 75088525
1-(2-phenylpiperazin-1-yl)heptan-2-ol
CID 70408469
4-(2-butylpiperidin-1-yl)-1-phenylbutan-1-one
CID 54171344
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
methyl 4-[(2R)-2-butylpiperazin-1-yl]benzoate
CID 45072946
1-phenyl-2-propylpiperazine
CID 70549920

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentylpiperazin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(2-pentylpiperazin-1-yl)-1-phenylethanone (CID 66668802) is 2-(2-pentylpiperazin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-pentylpiperazin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-pentylpiperazin-1-yl)-1-phenylethanone is CCCCCC1CNCCN1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-pentylpiperazin-1-yl)-1-phenylethanone?
The InChIKey is LWOKULKBQNMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-5-10-16-13-18-11-12-19(16)14-17(20)15-8-6-4-7-9-15/h4,6-9,16,18H,2-3,5,10-14H2,1H3.
What are the key properties of 2-(2-pentylpiperazin-1-yl)-1-phenylethanone?
2-(2-pentylpiperazin-1-yl)-1-phenylethanone has a molecular weight of 274.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentylpiperazin-1-yl)-1-phenylethanone is sourced from PubChem (CID 66668802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).