N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

C20H20ClF3N2O2 — CID 5161698

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20ClF3N2O2/c1-28-18-5-3-2-4-15(18)13-8-10-26(11-9-13)19(27)25-14-6-7-17(21)16(12-14)20(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyFQHPPYBSFHNMOV-UHFFFAOYSA-N
MW412.84 g/mol
LogP5.78
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 5161698) has the molecular formula C20H20ClF3N2O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID5161698
Molecular FormulaC20H20ClF3N2O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20ClF3N2O2/c1-28-18-5-3-2-4-15(18)13-8-10-26(11-9-13)19(27)25-14-6-7-17(21)16(12-14)20(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,27)
InChIKeyFQHPPYBSFHNMOV-UHFFFAOYSA-N
XLogP5.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.84
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
CID 3261302
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106223
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3786041
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7930859
N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-[2-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10229692
N-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carbothioamide
CID 5010652
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919783

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 5161698) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1C1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FQHPPYBSFHNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2/c1-28-18-5-3-2-4-15(18)13-8-10-26(11-9-13)19(27)25-14-6-7-17(21)16(12-14)20(22,23)24/h2-7,12-13H,8-11H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 5161698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).