(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

C25H25NO3 — CID 55430074

IUPAC(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCc1cccc(C)c1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25NO3/c1-17-7-5-8-18(2)23(17)29-25(28)20-13-15-26(16-14-20)24(27)22-12-6-10-19-9-3-4-11-21(19)22/h3-12,20H,13-16H2,1-2H3
InChIKeyUABYNPBEIQVEOP-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.91
Rot. Bonds3

About (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (PubChem CID 55430074) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
PubChem CID55430074
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCc1cccc(C)c1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25NO3/c1-17-7-5-8-18(2)23(17)29-25(28)20-13-15-26(16-14-20)24(27)22-12-6-10-19-9-3-4-11-21(19)22/h3-12,20H,13-16H2,1-2H3
InChIKeyUABYNPBEIQVEOP-UHFFFAOYSA-N
XLogP4.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 27426027
[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 51565896
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
(2-bromophenyl) 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 2563951
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (CID 55430074) is (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is Cc1cccc(C)c1OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is UABYNPBEIQVEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-17-7-5-8-18(2)23(17)29-25(28)20-13-15-26(16-14-20)24(27)22-12-6-10-19-9-3-4-11-21(19)22/h3-12,20H,13-16H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55430074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).