1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide

C19H24ClFN2O2 — CID 113003080

IUPAC1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-15-7-4-8-16(21)17(15)19(25)23-11-9-13(10-12-23)18(24)22-14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,22,24)
InChIKeyMILDYKHKTZSCMM-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.78
Rot. Bonds3

About 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide

1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 113003080) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
PubChem CID113003080
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-15-7-4-8-16(21)17(15)19(25)23-11-9-13(10-12-23)18(24)22-14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,22,24)
InChIKeyMILDYKHKTZSCMM-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108567332
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002767
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide (CID 113003080) is 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is MILDYKHKTZSCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c20-15-7-4-8-16(21)17(15)19(25)23-11-9-13(10-12-23)18(24)22-14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2,(H,22,24).
What are the key properties of 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide?
1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 366.86 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 113003080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).