N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C17H21F3N2O2 — CID 75383098

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15(23)12-7-9-22(10-8-12)16(24)21-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14-15,23H,5-10H2,(H,21,24)
InChIKeyALPULNKXJKNPTJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.02
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 75383098) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID75383098
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15(23)12-7-9-22(10-8-12)16(24)21-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14-15,23H,5-10H2,(H,21,24)
InChIKeyALPULNKXJKNPTJ-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 56819402
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(thian-4-ylmethyl)urea
CID 75425272
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 118740678
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(oxolan-3-yloxy)piperidine-1-carboxamide
CID 71863469
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
3-(2,3-dihydro-1H-inden-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75518095
3-(1,2,3,3a,4,5-Hexahydroacenaphthylen-1-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 86790789
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)urea
CID 47070715
3-ethoxy-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-1-carboxamide
CID 47758359
1-(2,3-dihydro-1H-inden-1-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 53512193
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 53559874

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 75383098) is N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is O=C(NC1CCc2ccccc21)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is ALPULNKXJKNPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)15(23)12-7-9-22(10-8-12)16(24)21-14-6-5-11-3-1-2-4-13(11)14/h1-4,12,14-15,23H,5-10H2,(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).