N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride

C24H26ClN3O2 — CID 120568777

IUPACN-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C24H25N3O2.ClH/c1-16-9-10-19(25)15-22(16)26-23(28)18-11-13-27(14-12-18)24(29)21-8-4-6-17-5-2-3-7-20(17)21;/h2-10,15,18H,11-14,25H2,1H3,(H,26,28);1H
InChIKeyZDJJQXPUJVFFCZ-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.64
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride

N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120568777) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120568777
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C24H25N3O2.ClH/c1-16-9-10-19(25)15-22(16)26-23(28)18-11-13-27(14-12-18)24(29)21-8-4-6-17-5-2-3-7-20(17)21;/h2-10,15,18H,11-14,25H2,1H3,(H,26,28);1H
InChIKeyZDJJQXPUJVFFCZ-UHFFFAOYSA-N
XLogP4.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429991
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55456894
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 120568777) is N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride is Cc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZDJJQXPUJVFFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.ClH/c1-16-9-10-19(25)15-22(16)26-23(28)18-11-13-27(14-12-18)24(29)21-8-4-6-17-5-2-3-7-20(17)21;/h2-10,15,18H,11-14,25H2,1H3,(H,26,28);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120568777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).