propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C18H33N3O4 — CID 54819590

IUPACpropyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C18H33N3O4/c1-3-5-6-7-8-9-19-16(22)14-21-11-10-20-18(24)15(21)13-17(23)25-12-4-2/h15H,3-14H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyICYZTOPUQNZSNK-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.22
Rot. Bonds12

About propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54819590) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54819590
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Namepropyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCCCCCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C18H33N3O4/c1-3-5-6-7-8-9-19-16(22)14-21-11-10-20-18(24)15(21)13-17(23)25-12-4-2/h15H,3-14H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyICYZTOPUQNZSNK-UHFFFAOYSA-N
XLogP1.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819883
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756
propyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819626
butyl 2-[1-[2-(4-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822905
propyl 2-[1-[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819699
butyl 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822781
propyl 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819623
butyl 2-[1-[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823089
butyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822936
propyl 2-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819553
propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54820041
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54819590) is propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CCCCCCCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC.
What is the InChIKey of propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is ICYZTOPUQNZSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-3-5-6-7-8-9-19-16(22)14-21-11-10-20-18(24)15(21)13-17(23)25-12-4-2/h15H,3-14H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 355.48 g/mol, XLogP of 1.22, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54819590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).