2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide

C25H33ClN2O — CID 142022293

IUPAC2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide
SMILESCC1(CNC(=O)c2cc(CC3CCNCC3)ccc2Cl)C=C2CC3CC(CC23)C1
InChIInChI=1S/C25H33ClN2O/c1-25(13-18-9-19-12-20(14-25)21(19)11-18)15-28-24(29)22-10-17(2-3-23(22)26)8-16-4-6-27-7-5-16/h2-3,10,14,16,18-19,21,27H,4-9,11-13,15H2,1H3,(H,28,29)
InChIKeyFQEFLWCALITYQS-UHFFFAOYSA-N
MW413.01 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide

2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide (PubChem CID 142022293) has the molecular formula C25H33ClN2O and a molecular weight of 413.01 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide
PubChem CID142022293
Molecular FormulaC25H33ClN2O
Molecular Weight413.01 g/mol
Exact Mass412.23
IUPAC Name2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide
SMILESCC1(CNC(=O)c2cc(CC3CCNCC3)ccc2Cl)C=C2CC3CC(CC23)C1
InChIInChI=1S/C25H33ClN2O/c1-25(13-18-9-19-12-20(14-25)21(19)11-18)15-28-24(29)22-10-17(2-3-23(22)26)8-16-4-6-27-7-5-16/h2-3,10,14,16,18-19,21,27H,4-9,11-13,15H2,1H3,(H,28,29)
InChIKeyFQEFLWCALITYQS-UHFFFAOYSA-N
XLogP4.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.01
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide 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

2-chloro-5-[(3S)-4-(ethylamino)-3-hydroxybutyl]-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]benzamide
CID 142935593
2-chloro-5-[(1R)-1-hydroxy-2-(methylamino)ethyl]-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]benzamide
CID 142935591
2-chloro-5-(4-hydroxypiperidin-4-yl)-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)benzamide
CID 163423915
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
CID 18336920
N-(1-adamantylmethyl)-5-[2-(4-aminopiperidin-1-yl)ethyl]-2-chlorobenzamide
CID 18381571
N-(1-adamantylmethyl)-2-chloro-5-(methylamino)benzamide
CID 20670042
N-(1-adamantylmethyl)-2-chloro-5-[(3S)-3,4-dihydroxybutyl]benzamide
CID 69483573
N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(hydroxymethyl)piperazin-1-yl]ethyl]benzamide
CID 18381512
tert-butyl 4-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]sulfanylpiperidine-4-carboxylate
CID 18381496
2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
CID 117117892
N-(1-adamantylmethyl)-5-[3-(tert-butylamino)propyl]-2-chlorobenzamide
CID 10295424
N-(1-adamantyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 25192712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide (CID 142022293) is 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide is CC1(CNC(=O)c2cc(CC3CCNCC3)ccc2Cl)C=C2CC3CC(CC23)C1.
What is the InChIKey of 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide?
The InChIKey is FQEFLWCALITYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O/c1-25(13-18-9-19-12-20(14-25)21(19)11-18)15-28-24(29)22-10-17(2-3-23(22)26)8-16-4-6-27-7-5-16/h2-3,10,14,16,18-19,21,27H,4-9,11-13,15H2,1H3,(H,28,29).
What are the key properties of 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide?
2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide has a molecular weight of 413.01 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)methyl]-5-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 142022293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).