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

C15H18N4O2 — CID 107435356

IUPACN-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H18N4O2/c1-2-19(10-12-6-4-3-5-11(12)7-16)15(21)13-8-18-14(20)9-17-13/h3-6,13,17H,2,8-10H2,1H3,(H,18,20)
InChIKeyXKZPASGQJPVVOF-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.01
Rot. Bonds4

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

N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide (PubChem CID 107435356) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
PubChem CID107435356
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
SMILESCCN(Cc1ccccc1C#N)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H18N4O2/c1-2-19(10-12-6-4-3-5-11(12)7-16)15(21)13-8-18-14(20)9-17-13/h3-6,13,17H,2,8-10H2,1H3,(H,18,20)
InChIKeyXKZPASGQJPVVOF-UHFFFAOYSA-N
XLogP-0.01
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
N-[(4-cyanophenyl)methyl]-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435093
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107436389
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide (CID 107435356) is N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide is CCN(Cc1ccccc1C#N)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide?
The InChIKey is XKZPASGQJPVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-19(10-12-6-4-3-5-11(12)7-16)15(21)13-8-18-14(20)9-17-13/h3-6,13,17H,2,8-10H2,1H3,(H,18,20).
What are the key properties of N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide?
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).