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

C21H40N2O2 — CID 10338117

IUPAC1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C21H40N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-21(25)23-18-16-22(17-19-23)20(24)4-2/h3-19H2,1-2H3
InChIKeyLTOKRZWEURGWKA-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.77
Rot. Bonds13

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

1-(4-propanoylpiperazin-1-yl)tetradecan-1-one (PubChem CID 10338117) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one.

Molecular Properties

Compound Name1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
PubChem CID10338117
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C21H40N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-21(25)23-18-16-22(17-19-23)20(24)4-2/h3-19H2,1-2H3
InChIKeyLTOKRZWEURGWKA-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.77
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

1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
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-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one?
The IUPAC name of 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one (CID 10338117) is 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one.
What is the SMILES notation for 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one?
The canonical SMILES for 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one is CCCCCCCCCCCCCC(=O)N1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one?
The InChIKey is LTOKRZWEURGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-21(25)23-18-16-22(17-19-23)20(24)4-2/h3-19H2,1-2H3.
What are the key properties of 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one?
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one has a molecular weight of 352.56 g/mol, XLogP of 4.77, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylpiperazin-1-yl)tetradecan-1-one is sourced from PubChem (CID 10338117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).