N-methyl-3-oxopiperazine-1-carboxamide

C6H11N3O2 — CID 53017571

IUPACN-methyl-3-oxopiperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H11N3O2/c1-7-6(11)9-3-2-8-5(10)4-9/h2-4H2,1H3,(H,7,11)(H,8,10)
InChIKeyCEOTWPROYDUWSB-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.24
Rot. Bonds

About N-methyl-3-oxopiperazine-1-carboxamide

N-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 53017571) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxopiperazine-1-carboxamide
PubChem CID53017571
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameN-methyl-3-oxopiperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C6H11N3O2/c1-7-6(11)9-3-2-8-5(10)4-9/h2-4H2,1H3,(H,7,11)(H,8,10)
InChIKeyCEOTWPROYDUWSB-UHFFFAOYSA-N
XLogP-1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-acetylpiperazin-2-one
CID 12744517
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
4-but-2-enoylpiperazin-2-one
CID 76872122
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-prop-2-enoylpiperazin-2-one
CID 43616246
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-methyl-3-oxopiperazine-1-carboxamide (CID 53017571) is N-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-methyl-3-oxopiperazine-1-carboxamide is CNC(=O)N1CCNC(=O)C1.
What is the InChIKey of N-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is CEOTWPROYDUWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-7-6(11)9-3-2-8-5(10)4-9/h2-4H2,1H3,(H,7,11)(H,8,10).
What are the key properties of N-methyl-3-oxopiperazine-1-carboxamide?
N-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 157.17 g/mol, XLogP of -1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).