N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C18H21F3N2O2 — CID 171903990

IUPACN-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)CCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C18H21F3N2O2/c1-10-5-6-12-11(9-10)3-2-4-14(12)22-16(24)13-7-8-15(18(19,20)21)23-17(13)25/h5-6,9,13-15H,2-4,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeySHURADRDCUJZIS-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.95
Rot. Bonds2

About N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903990) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903990
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(c1)CCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C18H21F3N2O2/c1-10-5-6-12-11(9-10)3-2-4-14(12)22-16(24)13-7-8-15(18(19,20)21)23-17(13)25/h5-6,9,13-15H,2-4,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeySHURADRDCUJZIS-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-((1R)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-((4-(trifluoromethyl)phenyl)formamido)propanamide
CID 71768302
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cyclopentane-1-carboxamide
CID 11295434
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 15983695
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 15983818
6-oxo-1-(3-phenylpropyl)-N-[2-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790160
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
2-(3,4-dimethylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16275604
N-{1-[4-(6-Trifluoromethyl-3,4-dihydro-1H-isoquinolin-2-ylmethyl)-phenyl]-ethyl}-acetamide
CID 118939082
N-[1-[4-[[5-(difluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940252
N-[1-[4-[[6-(difluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940253
N-[(1S)-1-[4-[[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]cyclopropanecarboxamide
CID 118940325
N-[(1S)-1-[4-[[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940419

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903990) is N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc2c(c1)CCCC2NC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SHURADRDCUJZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-10-5-6-12-11(9-10)3-2-4-14(12)22-16(24)13-7-8-15(18(19,20)21)23-17(13)25/h5-6,9,13-15H,2-4,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171903990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).