N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

C17H22ClF3N2O — CID 119443435

IUPACN-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C17H21F3N2O.ClH/c1-22(11-6-8-21-9-7-11)16(23)14-10-13(14)12-4-2-3-5-15(12)17(18,19)20;/h2-5,11,13-14,21H,6-10H2,1H3;1H
InChIKeyNESVPNFAAFWEPF-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.44
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride

N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119443435) has the molecular formula C17H22ClF3N2O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119443435
Molecular FormulaC17H22ClF3N2O
Molecular Weight362.82 g/mol
Exact Mass362.14
IUPAC NameN-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C17H21F3N2O.ClH/c1-22(11-6-8-21-9-7-11)16(23)14-10-13(14)12-4-2-3-5-15(12)17(18,19)20;/h2-5,11,13-14,21H,6-10H2,1H3;1H
InChIKeyNESVPNFAAFWEPF-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124613976
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124781032
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 75495592
4-[methyl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 96545552
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119443668
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556916
trans-(1R,2R)-N-(1-cyanocyclobutyl)-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96997631
2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119442332
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119443435) is N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is CN(C(=O)C1CC1c1ccccc1C(F)(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NESVPNFAAFWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O.ClH/c1-22(11-6-8-21-9-7-11)16(23)14-10-13(14)12-4-2-3-5-15(12)17(18,19)20;/h2-5,11,13-14,21H,6-10H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride?
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 362.82 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).