1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide

C21H31BrN2O — CID 43925877

IUPAC1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C21H31BrN2O/c22-19-10-6-8-17(14-19)15-24-13-7-9-18(16-24)21(25)23-20-11-4-2-1-3-5-12-20/h6,8,10,14,18,20H,1-5,7,9,11-13,15-16H2,(H,23,25)
InChIKeyHEUUZTLNEYUPLQ-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.89
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide (PubChem CID 43925877) has the molecular formula C21H31BrN2O and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
PubChem CID43925877
Molecular FormulaC21H31BrN2O
Molecular Weight407.40 g/mol
Exact Mass406.16
IUPAC Name1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C21H31BrN2O/c22-19-10-6-8-17(14-19)15-24-13-7-9-18(16-24)21(25)23-20-11-4-2-1-3-5-12-20/h6,8,10,14,18,20H,1-5,7,9,11-13,15-16H2,(H,23,25)
InChIKeyHEUUZTLNEYUPLQ-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-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-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2931967
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-(2-bicyclo[2.2.1]heptanyl)-1-[(3-bromophenyl)methyl]piperidine-3-carboxamide
CID 43921297
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-[(3-bromophenyl)methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917484
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 124785962
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide (CID 43925877) is 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide is O=C(NC1CCCCCCC1)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide?
The InChIKey is HEUUZTLNEYUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31BrN2O/c22-19-10-6-8-17(14-19)15-24-13-7-9-18(16-24)21(25)23-20-11-4-2-1-3-5-12-20/h6,8,10,14,18,20H,1-5,7,9,11-13,15-16H2,(H,23,25).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide is sourced from PubChem (CID 43925877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).