N-methoxy-N,1-dimethylpiperazine-2-carboxamide

C8H17N3O2 — CID 58137843

IUPACN-methoxy-N,1-dimethylpiperazine-2-carboxamide
SMILESCON(C)C(=O)C1CNCCN1C
InChIInChI=1S/C8H17N3O2/c1-10-5-4-9-6-7(10)8(12)11(2)13-3/h7,9H,4-6H2,1-3H3
InChIKeyDLJOGOXXANMOMR-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.09
Rot. Bonds2

About N-methoxy-N,1-dimethylpiperazine-2-carboxamide

N-methoxy-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 58137843) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-methoxy-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,1-dimethylpiperazine-2-carboxamide
PubChem CID58137843
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-methoxy-N,1-dimethylpiperazine-2-carboxamide
SMILESCON(C)C(=O)C1CNCCN1C
InChIInChI=1S/C8H17N3O2/c1-10-5-4-9-6-7(10)8(12)11(2)13-3/h7,9H,4-6H2,1-3H3
InChIKeyDLJOGOXXANMOMR-UHFFFAOYSA-N
XLogP-1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-methoxy-N,1-dimethylpiperazine-2-carboxamide (CID 58137843) is N-methoxy-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-methoxy-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-methoxy-N,1-dimethylpiperazine-2-carboxamide is CON(C)C(=O)C1CNCCN1C.
What is the InChIKey of N-methoxy-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is DLJOGOXXANMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-5-4-9-6-7(10)8(12)11(2)13-3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-methoxy-N,1-dimethylpiperazine-2-carboxamide?
N-methoxy-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 58137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).