N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide

C15H22N4O — CID 79163158

IUPACN-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N4O/c1-11-7-9-19(10-8-11)15(20)18(2)13-5-3-12(4-6-13)14(16)17/h3-6,11H,7-10H2,1-2H3,(H3,16,17)
InChIKeyVNPFOYHBGTWTKF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.26
Rot. Bonds2

About N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide

N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 79163158) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
PubChem CID79163158
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N4O/c1-11-7-9-19(10-8-11)15(20)18(2)13-5-3-12(4-6-13)14(16)17/h3-6,11H,7-10H2,1-2H3,(H3,16,17)
InChIKeyVNPFOYHBGTWTKF-UHFFFAOYSA-N
XLogP2.26
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
CID 64736917
(2S)-N-(4-carbamimidoylphenyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 67666152
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163420
5-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-methylamino]pentanoic acid;hydrochloride
CID 19391515
N-(4-carbamimidoyl-2-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 104850089
N-(4-carbamothioylphenyl)-N-methylpyrrolidine-1-carboxamide
CID 79162223
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
3-chloro-4-(4-methylpiperidin-1-yl)benzenecarboximidamide
CID 63088218
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide (CID 79163158) is N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide is [H]/N=C(\N)c1ccc(N(C)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is VNPFOYHBGTWTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-7-9-19(10-8-11)15(20)18(2)13-5-3-12(4-6-13)14(16)17/h3-6,11H,7-10H2,1-2H3,(H3,16,17).
What are the key properties of N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide?
N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79163158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).