N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide

C12H21N3O2 — CID 114107831

IUPACN-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCC1(CNC(=O)C2CNC(=O)CN2)CCC1
InChIInChI=1S/C12H21N3O2/c1-2-12(4-3-5-12)8-15-11(17)9-6-14-10(16)7-13-9/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyPYIWGGAMVPQYIH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide

N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 114107831) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID114107831
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESCCC1(CNC(=O)C2CNC(=O)CN2)CCC1
InChIInChI=1S/C12H21N3O2/c1-2-12(4-3-5-12)8-15-11(17)9-6-14-10(16)7-13-9/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyPYIWGGAMVPQYIH-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
CID 114164742
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
CID 114125067
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[(1-ethylcyclopentyl)methyl]-6-methylpiperidine-2-carboxamide
CID 114125672
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide (CID 114107831) is N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide is CCC1(CNC(=O)C2CNC(=O)CN2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is PYIWGGAMVPQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-12(4-3-5-12)8-15-11(17)9-6-14-10(16)7-13-9/h9,13H,2-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 114107831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).