N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide

C15H21N3O2 — CID 107433398

IUPACN-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-3-10-6-5-7-11(4-2)14(10)18-15(20)12-8-17-13(19)9-16-12/h5-7,12,16H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyASHGWUYTUSUJHA-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.84
Rot. Bonds4

About N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide

N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433398) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107433398
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-3-10-6-5-7-11(4-2)14(10)18-15(20)12-8-17-13(19)9-16-12/h5-7,12,16H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyASHGWUYTUSUJHA-UHFFFAOYSA-N
XLogP0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
N-(2,6-diethylphenyl)piperidine-2-carboxamide
CID 24706345
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide (CID 107433398) is N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide is CCc1cccc(CC)c1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is ASHGWUYTUSUJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-6-5-7-11(4-2)14(10)18-15(20)12-8-17-13(19)9-16-12/h5-7,12,16H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide?
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).