1-(4-ethylpiperazin-1-yl)tetradecan-1-one

C20H40N2O — CID 10358918

IUPAC1-(4-ethylpiperazin-1-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C20H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23)22-18-16-21(4-2)17-19-22/h3-19H2,1-2H3
InChIKeyPNTWMCNZPJMTQD-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.85
Rot. Bonds13

About 1-(4-ethylpiperazin-1-yl)tetradecan-1-one

1-(4-ethylpiperazin-1-yl)tetradecan-1-one (PubChem CID 10358918) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)tetradecan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)tetradecan-1-one
PubChem CID10358918
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-(4-ethylpiperazin-1-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCN(CC)CC1
InChIInChI=1S/C20H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23)22-18-16-21(4-2)17-19-22/h3-19H2,1-2H3
InChIKeyPNTWMCNZPJMTQD-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
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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-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
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-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)tetradecan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)tetradecan-1-one (CID 10358918) is 1-(4-ethylpiperazin-1-yl)tetradecan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)tetradecan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)tetradecan-1-one is CCCCCCCCCCCCCC(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)tetradecan-1-one?
The InChIKey is PNTWMCNZPJMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-20(23)22-18-16-21(4-2)17-19-22/h3-19H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)tetradecan-1-one?
1-(4-ethylpiperazin-1-yl)tetradecan-1-one has a molecular weight of 324.55 g/mol, XLogP of 4.85, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)tetradecan-1-one is sourced from PubChem (CID 10358918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).