1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

C24H33ClN2O3 — CID 55626791

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C24H33ClN2O3/c1-23(2)16-7-10-24(23,3)20(13-16)26-21(28)15-8-11-27(12-9-15)22(29)18-14-17(25)5-6-19(18)30-4/h5-6,14-16,20H,7-13H2,1-4H3,(H,26,28)
InChIKeyBLXOCQQCFSFMQA-UHFFFAOYSA-N
MW432.99 g/mol
LogP4.53
Rot. Bonds4

About 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (PubChem CID 55626791) has the molecular formula C24H33ClN2O3 and a molecular weight of 432.99 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
PubChem CID55626791
Molecular FormulaC24H33ClN2O3
Molecular Weight432.99 g/mol
Exact Mass432.22
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C24H33ClN2O3/c1-23(2)16-7-10-24(23,3)20(13-16)26-21(28)15-8-11-27(12-9-15)22(29)18-14-17(25)5-6-19(18)30-4/h5-6,14-16,20H,7-13H2,1-4H3,(H,26,28)
InChIKeyBLXOCQQCFSFMQA-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.99
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide with MolForge

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Related Compounds

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1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
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1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
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N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide (CID 55626791) is 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2CC3CCC2(C)C3(C)C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
The InChIKey is BLXOCQQCFSFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3/c1-23(2)16-7-10-24(23,3)20(13-16)26-21(28)15-8-11-27(12-9-15)22(29)18-14-17(25)5-6-19(18)30-4/h5-6,14-16,20H,7-13H2,1-4H3,(H,26,28).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide has a molecular weight of 432.99 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide is sourced from PubChem (CID 55626791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).