2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone

C25H34N2O4 — CID 166343081

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)cc1OC1CCCC1
InChIInChI=1S/C25H34N2O4/c1-30-22-11-9-18(14-23(22)31-21-6-2-3-7-21)24(28)26-12-4-5-19(16-26)25(29)27-15-17-8-10-20(27)13-17/h9,11,14,17,19-21H,2-8,10,12-13,15-16H2,1H3
InChIKeyAGFPIXIWJOOROJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.88
Rot. Bonds5

About 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone (PubChem CID 166343081) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone
PubChem CID166343081
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)cc1OC1CCCC1
InChIInChI=1S/C25H34N2O4/c1-30-22-11-9-18(14-23(22)31-21-6-2-3-7-21)24(28)26-12-4-5-19(16-26)25(29)27-15-17-8-10-20(27)13-17/h9,11,14,17,19-21H,2-8,10,12-13,15-16H2,1H3
InChIKeyAGFPIXIWJOOROJ-UHFFFAOYSA-N
XLogP3.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
2-azabicyclo[2.2.1]heptan-2-yl-(3-hydroxy-4-methoxyphenyl)methanone
CID 79601259
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
1-(3-cyclopentyloxy-4-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534462
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
1-[4-[5-(3,4-dimethylpiperazine-1-carbonyl)-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 24819154
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone (CID 166343081) is 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone is COc1ccc(C(=O)N2CCCC(C(=O)N3CC4CCC3C4)C2)cc1OC1CCCC1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone?
The InChIKey is AGFPIXIWJOOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-30-22-11-9-18(14-23(22)31-21-6-2-3-7-21)24(28)26-12-4-5-19(16-26)25(29)27-15-17-8-10-20(27)13-17/h9,11,14,17,19-21H,2-8,10,12-13,15-16H2,1H3.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[1-(3-cyclopentyloxy-4-methoxybenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 166343081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).