1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione

C18H26N2O3 — CID 110298179

IUPAC1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCCN1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-19-11-13-20(14-12-19)18(22)6-4-5-17(21)15-7-9-16(23-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKeyZCYGNFHBFNEDOZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.21
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione

1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione (PubChem CID 110298179) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
PubChem CID110298179
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCCN1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-19-11-13-20(14-12-19)18(22)6-4-5-17(21)15-7-9-16(23-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3
InChIKeyZCYGNFHBFNEDOZ-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione 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-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
N,N-diethyl-4-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperazine-1-sulfonamide
CID 55909256
1-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119415930
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119662784
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
ethyl 4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carboxylate chloride
CID 53350490

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione (CID 110298179) is 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione is CCN1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione?
The InChIKey is ZCYGNFHBFNEDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-19-11-13-20(14-12-19)18(22)6-4-5-17(21)15-7-9-16(23-2)10-8-15/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione?
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione has a molecular weight of 318.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 110298179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).