1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

C22H26ClFN2O — CID 43923934

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C22H26ClFN2O/c1-15(2)17-8-3-4-11-21(17)25-22(27)16-7-6-12-26(13-16)14-18-19(23)9-5-10-20(18)24/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,25,27)
InChIKeyPNITUFSAXFMJGK-UHFFFAOYSA-N
MW388.91 g/mol
LogP5.45
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 43923934) has the molecular formula C22H26ClFN2O and a molecular weight of 388.91 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID43923934
Molecular FormulaC22H26ClFN2O
Molecular Weight388.91 g/mol
Exact Mass388.17
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C22H26ClFN2O/c1-15(2)17-8-3-4-11-21(17)25-22(27)16-7-6-12-26(13-16)14-18-19(23)9-5-10-20(18)24/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,25,27)
InChIKeyPNITUFSAXFMJGK-UHFFFAOYSA-N
XLogP5.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.91
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43920134
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
1-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43921762
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919230
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
methyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43920291
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide (CID 43923934) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is PNITUFSAXFMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O/c1-15(2)17-8-3-4-11-21(17)25-22(27)16-7-6-12-26(13-16)14-18-19(23)9-5-10-20(18)24/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,25,27).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 388.91 g/mol, XLogP of 5.45, 5 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-(2-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43923934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).