N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide

C16H19F3N2O2 — CID 67716553

IUPACN-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCc2ccc(OC(F)(F)F)cc21)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)23-12-6-4-11-5-7-14(13(11)10-12)20-15(22)21-8-2-1-3-9-21/h4,6,10,14H,1-3,5,7-9H2,(H,20,22)
InChIKeySHDPEMNGNUYBLO-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.77
Rot. Bonds2

About N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide

N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (PubChem CID 67716553) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
PubChem CID67716553
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCc2ccc(OC(F)(F)F)cc21)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)23-12-6-4-11-5-7-14(13(11)10-12)20-15(22)21-8-2-1-3-9-21/h4,6,10,14H,1-3,5,7-9H2,(H,20,22)
InChIKeySHDPEMNGNUYBLO-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorobenzoyl)-N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-1,4-diazepane-1-carboxamide
CID 86896143
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 167906269
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
N-cyclopropylacetamide;N-[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 170731606
2-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
CID 66700927
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 81319484
2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
CID 59505749
2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712080
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 175766919

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (CID 67716553) is N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is O=C(NC1CCc2ccc(OC(F)(F)F)cc21)N1CCCCC1.
What is the InChIKey of N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The InChIKey is SHDPEMNGNUYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)23-12-6-4-11-5-7-14(13(11)10-12)20-15(22)21-8-2-1-3-9-21/h4,6,10,14H,1-3,5,7-9H2,(H,20,22).
What are the key properties of N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67716553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).