N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide

C15H22N4O2 — CID 104850100

IUPACN-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-10-4-3-7-19(9-10)15(20)18-12-6-5-11(14(16)17)8-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyBEUHXLXSQWESEC-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.24
Rot. Bonds3

About N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide

N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 104850100) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide
PubChem CID104850100
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N2CCCC(C)C2)c(OC)c1
InChIInChI=1S/C15H22N4O2/c1-10-4-3-7-19(9-10)15(20)18-12-6-5-11(14(16)17)8-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H3,16,17)(H,18,20)
InChIKeyBEUHXLXSQWESEC-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)-4-methylpiperidine-1-carboxamide
CID 104850089
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
N-(2-carbamimidoyl-3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 79162888
4-(cyclohexylsulfonylamino)-3-methoxybenzenecarboximidamide
CID 104850131
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163310
5-iodo-2-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63111649
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide (CID 104850100) is N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)c1ccc(NC(=O)N2CCCC(C)C2)c(OC)c1.
What is the InChIKey of N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is BEUHXLXSQWESEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-4-3-7-19(9-10)15(20)18-12-6-5-11(14(16)17)8-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H3,16,17)(H,18,20).
What are the key properties of N-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide?
N-(4-carbamimidoyl-2-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-(4-carbamimidoyl-2-methoxyphenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104850100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).