N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide

C14H20N4O2 — CID 63604915

IUPACN-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N4O2/c1-2-12-13(19)16-7-8-18(12)14(20)17-11-5-3-10(9-15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyRNNVIRMGHTTXST-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.89
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide

N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 63604915) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID63604915
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)NCCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N4O2/c1-2-12-13(19)16-7-8-18(12)14(20)17-11-5-3-10(9-15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyRNNVIRMGHTTXST-UHFFFAOYSA-N
XLogP0.89
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(dimethylcarbamoyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 95979462
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
(2S)-2-ethyl-N-(4-methoxy-3-propan-2-yloxyphenyl)-3-oxopiperazine-1-carboxamide
CID 129471674
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide (CID 63604915) is N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide is CCC1C(=O)NCCN1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is RNNVIRMGHTTXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-12-13(19)16-7-8-18(12)14(20)17-11-5-3-10(9-15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide?
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 63604915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).