N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide

C15H22N4O2 — CID 104850089

IUPACN-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-10-5-7-19(8-6-10)15(20)18-12-4-3-11(14(16)17)9-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyVWDBDEUJTFKXRB-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.24
Rot. Bonds3

About N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide

N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 104850089) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide
PubChem CID104850089
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-10-5-7-19(8-6-10)15(20)18-12-4-3-11(14(16)17)9-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyVWDBDEUJTFKXRB-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
4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
CID 104850131
N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163158
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(5-cyano-2-methoxyphenyl)-4-methylazepane-1-carboxamide
CID 49286681
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide (CID 104850089) is N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide is [H]/N=C(\N)c1ccc(NC(=O)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VWDBDEUJTFKXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-5-7-19(8-6-10)15(20)18-12-4-3-11(14(16)17)9-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H3,16,17)(H,18,20).
What are the key properties of N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide?
N-(4-carbamimidoyl-2-methoxyphenyl)-4-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-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104850089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).