1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide

C23H26ClF3N2O — CID 70791961

IUPAC1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(C)CCN(Cc2ccccc2Cl)CC1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C23H26ClF3N2O/c1-22(11-13-29(14-12-22)16-18-5-3-4-6-20(18)24)21(30)28(2)19-9-7-17(8-10-19)15-23(25,26)27/h3-10H,11-16H2,1-2H3
InChIKeyKXJHWERQHSDNHC-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.71
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide (PubChem CID 70791961) has the molecular formula C23H26ClF3N2O and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
PubChem CID70791961
Molecular FormulaC23H26ClF3N2O
Molecular Weight438.92 g/mol
Exact Mass438.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
SMILESCN(C(=O)C1(C)CCN(Cc2ccccc2Cl)CC1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C23H26ClF3N2O/c1-22(11-13-29(14-12-22)16-18-5-3-4-6-20(18)24)21(30)28(2)19-9-7-17(8-10-19)15-23(25,26)27/h3-10H,11-16H2,1-2H3
InChIKeyKXJHWERQHSDNHC-UHFFFAOYSA-N
XLogP5.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 106865235
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
1-[(5-amino-2-chlorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317846
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878918
1-[(4-bromophenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine;oxalic acid
CID 90486163
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide (CID 70791961) is 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide is CN(C(=O)C1(C)CCN(Cc2ccccc2Cl)CC1)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KXJHWERQHSDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N2O/c1-22(11-13-29(14-12-22)16-18-5-3-4-6-20(18)24)21(30)28(2)19-9-7-17(8-10-19)15-23(25,26)27/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N,4-dimethyl-N-[4-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 70791961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).