N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide

C21H27F3N2O2 — CID 171152601

IUPACN-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H27F3N2O2/c1-25-19(27)17-7-2-3-8-18(17)20(28)26-11-9-14(10-12-26)15-5-4-6-16(13-15)21(22,23)24/h4-6,13-14,17-18H,2-3,7-12H2,1H3,(H,25,27)
InChIKeyDPOAQNIVVAHGNC-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.96
Rot. Bonds3

About N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide

N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 171152601) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID171152601
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC NameN-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H27F3N2O2/c1-25-19(27)17-7-2-3-8-18(17)20(28)26-11-9-14(10-12-26)15-5-4-6-16(13-15)21(22,23)24/h4-6,13-14,17-18H,2-3,7-12H2,1H3,(H,25,27)
InChIKeyDPOAQNIVVAHGNC-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119544756
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 123600972
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86937419
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide (CID 171152601) is N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide is CNC(=O)C1CCCCC1C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is DPOAQNIVVAHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c1-25-19(27)17-7-2-3-8-18(17)20(28)26-11-9-14(10-12-26)15-5-4-6-16(13-15)21(22,23)24/h4-6,13-14,17-18H,2-3,7-12H2,1H3,(H,25,27).
What are the key properties of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide?
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 171152601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).