1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide

C21H30ClFN2O — CID 45015159

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H30ClFN2O/c22-19-9-6-10-20(23)18(19)15-25-13-11-16(12-14-25)21(26)24-17-7-4-2-1-3-5-8-17/h6,9-10,16-17H,1-5,7-8,11-15H2,(H,24,26)
InChIKeyHIQICFIHHSWHQK-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.92
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide (PubChem CID 45015159) has the molecular formula C21H30ClFN2O and a molecular weight of 380.94 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
PubChem CID45015159
Molecular FormulaC21H30ClFN2O
Molecular Weight380.94 g/mol
Exact Mass380.20
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C21H30ClFN2O/c22-19-9-6-10-20(23)18(19)15-25-13-11-16(12-14-25)21(26)24-17-7-4-2-1-3-5-8-17/h6,9-10,16-17H,1-5,7-8,11-15H2,(H,24,26)
InChIKeyHIQICFIHHSWHQK-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 40921987
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 113003080
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)piperidine-4-carboxamide
CID 100752301
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide (CID 45015159) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide is O=C(NC1CCCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide?
The InChIKey is HIQICFIHHSWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClFN2O/c22-19-9-6-10-20(23)18(19)15-25-13-11-16(12-14-25)21(26)24-17-7-4-2-1-3-5-8-17/h6,9-10,16-17H,1-5,7-8,11-15H2,(H,24,26).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide has a molecular weight of 380.94 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide is sourced from PubChem (CID 45015159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).