N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide

C13H19N3O2 — CID 63104359

IUPACN-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1CNCCN1
InChIInChI=1S/C13H19N3O2/c1-16(11-5-3-4-6-12(11)18-2)13(17)10-9-14-7-8-15-10/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyOJWCADKIEBQQHH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.22
Rot. Bonds3

About N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide

N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide (PubChem CID 63104359) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
PubChem CID63104359
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1CNCCN1
InChIInChI=1S/C13H19N3O2/c1-16(11-5-3-4-6-12(11)18-2)13(17)10-9-14-7-8-15-10/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyOJWCADKIEBQQHH-UHFFFAOYSA-N
XLogP0.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide (CID 63104359) is N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide is COc1ccccc1N(C)C(=O)C1CNCCN1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is OJWCADKIEBQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(11-5-3-4-6-12(11)18-2)13(17)10-9-14-7-8-15-10/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63104359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).