pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate

C18H32N2O4 — CID 54789180

IUPACpentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
SMILESCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCCC
InChIInChI=1S/C18H32N2O4/c1-3-5-7-8-10-16(21)20-12-11-19-18(23)15(20)14-17(22)24-13-9-6-4-2/h15H,3-14H2,1-2H3,(H,19,23)
InChIKeyPKLARCOCYQFUEN-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.41
Rot. Bonds11

About pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate

pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate (PubChem CID 54789180) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namepentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
PubChem CID54789180
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Namepentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
SMILESCCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCCC
InChIInChI=1S/C18H32N2O4/c1-3-5-7-8-10-16(21)20-12-11-19-18(23)15(20)14-17(22)24-13-9-6-4-2/h15H,3-14H2,1-2H3,(H,19,23)
InChIKeyPKLARCOCYQFUEN-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-decoxy-2-oxoethyl)-3-oxopiperazin-1-yl]-4-oxobutanoic acid
CID 17093824
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
pentyl 2-[1-[2-(2-methylphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 43877398
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
decyl 2-[1-[2-(4-methoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093864
decyl 2-[1-(cyclohexanecarbonyl)-3-oxopiperazin-2-yl]acetate
CID 17093877
decyl 2-[1-[3-(2-chlorophenyl)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17179058
dodecyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086289
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892
ethyl 4-[[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate
CID 17086522

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate?
The IUPAC name of pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate (CID 54789180) is pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate?
The canonical SMILES for pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate is CCCCCCC(=O)N1CCNC(=O)C1CC(=O)OCCCCC.
What is the InChIKey of pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate?
The InChIKey is PKLARCOCYQFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-3-5-7-8-10-16(21)20-12-11-19-18(23)15(20)14-17(22)24-13-9-6-4-2/h15H,3-14H2,1-2H3,(H,19,23).
What are the key properties of pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate?
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate has a molecular weight of 340.46 g/mol, XLogP of 2.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 54789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).