N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C24H22ClF3N2O — CID 43924053

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H22ClF3N2O/c25-21-9-8-19(24(26,27)28)14-22(21)29-23(31)17-10-12-30(13-11-17)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,14,17H,10-13,15H2,(H,29,31)
InChIKeyQYNKVWMTALDIDI-UHFFFAOYSA-N
MW446.90 g/mol
LogP6.36
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 43924053) has the molecular formula C24H22ClF3N2O and a molecular weight of 446.90 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID43924053
Molecular FormulaC24H22ClF3N2O
Molecular Weight446.90 g/mol
Exact Mass446.14
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H22ClF3N2O/c25-21-9-8-19(24(26,27)28)14-22(21)29-23(31)17-10-12-30(13-11-17)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,14,17H,10-13,15H2,(H,29,31)
InChIKeyQYNKVWMTALDIDI-UHFFFAOYSA-N
XLogP6.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.90
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38155610
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43919238
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43920099
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924033
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 43924053) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QYNKVWMTALDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O/c25-21-9-8-19(24(26,27)28)14-22(21)29-23(31)17-10-12-30(13-11-17)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-9,14,17H,10-13,15H2,(H,29,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 446.90 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).