1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one

C17H18F3NO — CID 14896397

IUPAC1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one
SMILESCC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H18F3NO/c1-16(2)10-14(21-8-4-3-5-15(21)22)12-7-6-11(9-13(12)16)17(18,19)20/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMDNANFQKFQVCIN-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.35
Rot. Bonds1

About 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one

1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one (PubChem CID 14896397) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one
PubChem CID14896397
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one
SMILESCC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H18F3NO/c1-16(2)10-14(21-8-4-3-5-15(21)22)12-7-6-11(9-13(12)16)17(18,19)20/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyMDNANFQKFQVCIN-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172916311
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CID 97362463
(6S)-8-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyrido[2,1-a]isoindol-4-one
CID 134963174
N-[2-(difluoromethyl)-3,3-dimethylinden-1-yl]-N-methylacetamide
CID 176437900
Cambridge id 5263111
CID 2838188
2-Cyclopropyl-9-(2,5-dimethylbenzyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70751353
2-(1-ethyl-4-piperidinyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]acetamide
CID 72847306
4,4,4-trifluoro-N-methyl-N-[(2-methyl-2,3-dihydro-1H-isoindol-5-yl)methyl]butanamide formate
CID 124218974
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(1-methyl-4-phenylpiperidin-4-yl)acetamide
CID 9982861
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
CID 10323839
1-[3,3-dimethyl-7-(trifluoromethyl)-4H-naphthalen-1-yl]pyridin-2-one
CID 19887447
1-(1-ethyl-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one?
The IUPAC name of 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one (CID 14896397) is 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one.
What is the SMILES notation for 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one?
The canonical SMILES for 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one is CC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one?
The InChIKey is MDNANFQKFQVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-16(2)10-14(21-8-4-3-5-15(21)22)12-7-6-11(9-13(12)16)17(18,19)20/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one?
1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one has a molecular weight of 309.33 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-5-(trifluoromethyl)inden-1-yl]piperidin-2-one is sourced from PubChem (CID 14896397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).