N-ethyl-3-oxopiperazine-1-carboxamide

C7H13N3O2 — CID 53017572

IUPACN-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2/c1-2-8-7(12)10-4-3-9-6(11)5-10/h2-5H2,1H3,(H,8,12)(H,9,11)
InChIKeyWPIJFBXHIPBETM-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.85
Rot. Bonds1

About N-ethyl-3-oxopiperazine-1-carboxamide

N-ethyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017572) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-ethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxopiperazine-1-carboxamide
PubChem CID53017572
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-ethyl-3-oxopiperazine-1-carboxamide
SMILESCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H13N3O2/c1-2-8-7(12)10-4-3-9-6(11)5-10/h2-5H2,1H3,(H,8,12)(H,9,11)
InChIKeyWPIJFBXHIPBETM-UHFFFAOYSA-N
XLogP-0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
4-acetylpiperazin-2-one
CID 12744517
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
N-ethylpiperazine-1-carboxamide
CID 9207783
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161942
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-ethyl-3-oxopiperazine-1-carboxamide (CID 53017572) is N-ethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-3-oxopiperazine-1-carboxamide is CCNC(=O)N1CCNC(=O)C1.
What is the InChIKey of N-ethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is WPIJFBXHIPBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-8-7(12)10-4-3-9-6(11)5-10/h2-5H2,1H3,(H,8,12)(H,9,11).
What are the key properties of N-ethyl-3-oxopiperazine-1-carboxamide?
N-ethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 171.20 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).