4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide

C12H21N3O3 — CID 21064506

IUPAC4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H21N3O3/c1-3-5-6-7-13-12(18)15-9-8-14(4-2)10(16)11(15)17/h3-9H2,1-2H3,(H,13,18)
InChIKeyIFBDQNGJTFWQTC-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.58
Rot. Bonds5

About 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide (PubChem CID 21064506) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide
PubChem CID21064506
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H21N3O3/c1-3-5-6-7-13-12(18)15-9-8-14(4-2)10(16)11(15)17/h3-9H2,1-2H3,(H,13,18)
InChIKeyIFBDQNGJTFWQTC-UHFFFAOYSA-N
XLogP0.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylcarbamoyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896226
N-(cyclohexylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16286794
N-(cyclopentylcarbamoyl)-2-piperidin-1-ylacetamide
CID 2465977
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-(cyclohexylcarbamoyl)-2-piperidin-1-ylacetamide
CID 2464024
N-(tert-butylcarbamoyl)-2-piperidin-1-ylacetamide
CID 2466075
1-Piperidineacetamide, N-hexyl-
CID 3063350
N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
2-(4-cyclopentylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 47025084
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
N-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 172434219
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide (CID 21064506) is 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(CC)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide?
The InChIKey is IFBDQNGJTFWQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-5-6-7-13-12(18)15-9-8-14(4-2)10(16)11(15)17/h3-9H2,1-2H3,(H,13,18).
What are the key properties of 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 21064506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).