N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C25H34N2O4 — CID 78884210

IUPACN-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C25H34N2O4/c1-30-21-12-20(13-22(14-21)31-2)25(29)27-5-3-17(4-6-27)24(28)26-23-18-8-15-7-16(10-18)11-19(23)9-15/h12-19,23H,3-11H2,1-2H3,(H,26,28)
InChIKeyXXWSWGDBFXIBGX-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.50
Rot. Bonds5

About N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 78884210) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID78884210
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C25H34N2O4/c1-30-21-12-20(13-22(14-21)31-2)25(29)27-5-3-17(4-6-27)24(28)26-23-18-8-15-7-16(10-18)11-19(23)9-15/h12-19,23H,3-11H2,1-2H3,(H,26,28)
InChIKeyXXWSWGDBFXIBGX-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide 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

N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119427113
4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 24951842
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3,5-dimethoxybenzoyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)piperidine-4-carboxamide
CID 166227562
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 78884210) is N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c1.
What is the InChIKey of N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is XXWSWGDBFXIBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-30-21-12-20(13-22(14-21)31-2)25(29)27-5-3-17(4-6-27)24(28)26-23-18-8-15-7-16(10-18)11-19(23)9-15/h12-19,23H,3-11H2,1-2H3,(H,26,28).
What are the key properties of N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 78884210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).