N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C20H27F3N2O — CID 120554712

IUPACN-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C20H27F3N2O/c1-14-13-24-11-8-17(14)25-18(26)19(9-3-2-4-10-19)15-6-5-7-16(12-15)20(21,22)23/h5-7,12,14,17,24H,2-4,8-11,13H2,1H3,(H,25,26)
InChIKeyGWBAKXOVUXYVQS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.02
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 120554712) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID120554712
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC NameN-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C20H27F3N2O/c1-14-13-24-11-8-17(14)25-18(26)19(9-3-2-4-10-19)15-6-5-7-16(12-15)20(21,22)23/h5-7,12,14,17,24H,2-4,8-11,13H2,1H3,(H,25,26)
InChIKeyGWBAKXOVUXYVQS-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 120554712) is N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is CC1CNCCC1NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is GWBAKXOVUXYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-14-13-24-11-8-17(14)25-18(26)19(9-3-2-4-10-19)15-6-5-7-16(12-15)20(21,22)23/h5-7,12,14,17,24H,2-4,8-11,13H2,1H3,(H,25,26).
What are the key properties of N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 120554712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).