1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione

C18H34N2O2 — CID 178063204

IUPAC1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione
SMILESCCC(C)C(=O)CCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-16(3)17(21)10-8-6-7-9-11-18(22)20-14-12-19(5-2)13-15-20/h16H,4-15H2,1-3H3
InChIKeyNVPDIPIMWIKRBJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.11
Rot. Bonds10

About 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione

1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione (PubChem CID 178063204) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione
PubChem CID178063204
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione
SMILESCCC(C)C(=O)CCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-16(3)17(21)10-8-6-7-9-11-18(22)20-14-12-19(5-2)13-15-20/h16H,4-15H2,1-3H3
InChIKeyNVPDIPIMWIKRBJ-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.11
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

1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
9-methylundecane-2,8-dione
CID 178033213
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
2,19-dimethylhenicosane-3,18-dione
CID 138498522
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
CID 109012745
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
CID 166112079

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione (CID 178063204) is 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione is CCC(C)C(=O)CCCCCCC(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione?
The InChIKey is NVPDIPIMWIKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-4-16(3)17(21)10-8-6-7-9-11-18(22)20-14-12-19(5-2)13-15-20/h16H,4-15H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione?
1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione has a molecular weight of 310.48 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-9-methylundecane-1,8-dione is sourced from PubChem (CID 178063204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).