N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide

C12H23N3O3 — CID 114164742

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H23N3O3/c1-3-12(4-2,8-16)7-15-11(18)9-5-14-10(17)6-13-9/h9,13,16H,3-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHADRHXVFURMUIN-UHFFFAOYSA-N
MW257.33 g/mol
LogP-1.01
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide (PubChem CID 114164742) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
PubChem CID114164742
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H23N3O3/c1-3-12(4-2,8-16)7-15-11(18)9-5-14-10(17)6-13-9/h9,13,16H,3-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHADRHXVFURMUIN-UHFFFAOYSA-N
XLogP-1.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)-2-methylpropyl]-5-oxopiperazine-2-carboxamide
CID 107436596
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
5-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2-carboxamide
CID 106428188
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 114107831
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
(2R)-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107565066
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide (CID 114164742) is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide is CCC(CC)(CO)CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is HADRHXVFURMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-12(4-2,8-16)7-15-11(18)9-5-14-10(17)6-13-9/h9,13,16H,3-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -1.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 114164742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).