4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

C17H21F3N2O2 — CID 97334234

IUPAC4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2/c1-11-10-12-4-2-3-5-13(12)14(11)21-15(23)22-8-6-16(24,7-9-22)17(18,19)20/h2-5,11,14,24H,6-10H2,1H3,(H,21,23)/t11-,14-/m1/s1
InChIKeyLZWZGENWJUOREB-BXUZGUMPSA-N
MW342.36 g/mol
LogP3.02
Rot. Bonds1

About 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334234) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334234
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2/c1-11-10-12-4-2-3-5-13(12)14(11)21-15(23)22-8-6-16(24,7-9-22)17(18,19)20/h2-5,11,14,24H,6-10H2,1H3,(H,21,23)/t11-,14-/m1/s1
InChIKeyLZWZGENWJUOREB-BXUZGUMPSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024869
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024872
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4-(trifluoromethyl)azepane-1-carboxamide
CID 136542748
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
CID 97094911
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
4-hydroxy-N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483152
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334234) is 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is LZWZGENWJUOREB-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11-10-12-4-2-3-5-13(12)14(11)21-15(23)22-8-6-16(24,7-9-22)17(18,19)20/h2-5,11,14,24H,6-10H2,1H3,(H,21,23)/t11-,14-/m1/s1.
What are the key properties of 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).