N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide

C15H21N3O2 — CID 107435099

IUPACN-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-3-18(10-12-6-4-5-11(2)7-12)15(20)13-8-17-14(19)9-16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyQNJYIYLLLPYJSE-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.43
Rot. Bonds4

About N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide

N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435099) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435099
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H21N3O2/c1-3-18(10-12-6-4-5-11(2)7-12)15(20)13-8-17-14(19)9-16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,19)
InChIKeyQNJYIYLLLPYJSE-UHFFFAOYSA-N
XLogP0.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436261
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435356
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719
2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
CID 107437361
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
N-methyl-5-oxo-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 107433918
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
N,2-diethyl-N-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 83072039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide (CID 107435099) is N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide is CCN(Cc1cccc(C)c1)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is QNJYIYLLLPYJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18(10-12-6-4-5-11(2)7-12)15(20)13-8-17-14(19)9-16-13/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide?
N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).