N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide

C16H21F3N2O — CID 121446710

IUPACN,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C16H21F3N2O/c1-10-5-4-6-11(2)21(10)16(22)20(3)9-12-7-13(17)8-14(18)15(12)19/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyXOQAOYATPLWFQM-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.92
Rot. Bonds2

About N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide

N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 121446710) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID121446710
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C16H21F3N2O/c1-10-5-4-6-11(2)21(10)16(22)20(3)9-12-7-13(17)8-14(18)15(12)19/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyXOQAOYATPLWFQM-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 9872808
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 10152974
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51003055
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide (CID 121446710) is N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide is CC1CCCC(C)N1C(=O)N(C)Cc1cc(F)cc(F)c1F.
What is the InChIKey of N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is XOQAOYATPLWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-10-5-4-6-11(2)21(10)16(22)20(3)9-12-7-13(17)8-14(18)15(12)19/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 121446710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).