N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide

C20H39N3O2 — CID 71345985

IUPACN-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN1CCNC(=O)C1
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-16-23-17-15-22-20(25)18-23/h2-18H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEIMQZTYTPEUIA-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.24
Rot. Bonds15

About N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide

N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide (PubChem CID 71345985) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
PubChem CID71345985
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC NameN-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCN1CCNC(=O)C1
InChIInChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-16-23-17-15-22-20(25)18-23/h2-18H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEIMQZTYTPEUIA-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
CID 154775188
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N-[2-(3-oxopiperazin-1-yl)ethyl]formamide
CID 87676983
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide?
The IUPAC name of N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide (CID 71345985) is N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide?
The canonical SMILES for N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCN1CCNC(=O)C1.
What is the InChIKey of N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide?
The InChIKey is NEIMQZTYTPEUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(24)21-14-16-23-17-15-22-20(25)18-23/h2-18H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide?
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide has a molecular weight of 353.55 g/mol, XLogP of 3.24, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide is sourced from PubChem (CID 71345985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).