N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide

C15H22N4O2 — CID 107469923

IUPACN-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O2/c1-10-5-4-8-19(9-10)15(20)18-13-11(14(16)17)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyWIWLUSYFYNUOGL-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.24
Rot. Bonds3

About N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide

N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 107469923) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
PubChem CID107469923
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NC(=O)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O2/c1-10-5-4-8-19(9-10)15(20)18-13-11(14(16)17)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyWIWLUSYFYNUOGL-UHFFFAOYSA-N
XLogP2.24
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 104850100
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
N-(2-carbamimidoyl-3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79162888
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
CID 79152846
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide (CID 107469923) is N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)c1cccc(OC)c1NC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is WIWLUSYFYNUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-5-4-8-19(9-10)15(20)18-13-11(14(16)17)6-3-7-12(13)21-2/h3,6-7,10H,4-5,8-9H2,1-2H3,(H3,16,17)(H,18,20).
What are the key properties of N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107469923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).