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

C14H19N3O2 — CID 107436261

IUPACN-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCc1cccc(CCNC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-2-4-11(7-10)5-6-15-14(19)12-8-17-13(18)9-16-12/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQKNNREPRDBYBKA-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.26
Rot. Bonds4

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

N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107436261) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107436261
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCc1cccc(CCNC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C14H19N3O2/c1-10-3-2-4-11(7-10)5-6-15-14(19)12-8-17-13(18)9-16-12/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyQKNNREPRDBYBKA-UHFFFAOYSA-N
XLogP-0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034
N-ethyl-N-[(3-methylphenyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435099
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
CID 74876403
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107436261) is N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide is Cc1cccc(CCNC(=O)C2CNC(=O)CN2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is QKNNREPRDBYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-3-2-4-11(7-10)5-6-15-14(19)12-8-17-13(18)9-16-12/h2-4,7,12,16H,5-6,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).