N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide

C13H19N3O2 — CID 63102179

IUPACN-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CNCCN1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-12(18-2)10(7-9)16-13(17)11-8-14-5-6-15-11/h3-4,7,11,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZSRZWNXWAHIMEK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.50
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide

N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide (PubChem CID 63102179) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
PubChem CID63102179
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CNCCN1
InChIInChI=1S/C13H19N3O2/c1-9-3-4-12(18-2)10(7-9)16-13(17)11-8-14-5-6-15-11/h3-4,7,11,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZSRZWNXWAHIMEK-UHFFFAOYSA-N
XLogP0.50
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)piperazine-2-carboxamide
CID 55178030
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
N-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450873
N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119931825
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
(3R,4S)-N-(2-methoxy-5-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917529
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide (CID 63102179) is N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CNCCN1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide?
The InChIKey is ZSRZWNXWAHIMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-4-12(18-2)10(7-9)16-13(17)11-8-14-5-6-15-11/h3-4,7,11,14-15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).