2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone

C18H28N2O2 — CID 113075099

IUPAC2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
SMILESCCCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-10-19-11-13-20(14-12-19)18(21)15-16-6-8-17(22-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3
InChIKeyKODHZHASGKPSQW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone

2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone (PubChem CID 113075099) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
PubChem CID113075099
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
SMILESCCCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-10-19-11-13-20(14-12-19)18(21)15-16-6-8-17(22-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3
InChIKeyKODHZHASGKPSQW-UHFFFAOYSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
N-butyl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 18163217
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
tert-butyl 3-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanoate
CID 56799349
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone (CID 113075099) is 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone is CCCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone?
The InChIKey is KODHZHASGKPSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-4-5-10-19-11-13-20(14-12-19)18(21)15-16-6-8-17(22-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone?
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 113075099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).