(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide

C20H27FN2O2 — CID 94818124

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3cc(F)ccc32)C1
InChIInChI=1S/C20H27FN2O2/c1-20(2,3)19(25)23-10-4-5-14(12-23)18(24)22-17-9-6-13-11-15(21)7-8-16(13)17/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H,22,24)/t14-,17+/m1/s1
InChIKeyXSWOZBATQOVTKR-PBHICJAKSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds2

About (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide (PubChem CID 94818124) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
PubChem CID94818124
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3cc(F)ccc32)C1
InChIInChI=1S/C20H27FN2O2/c1-20(2,3)19(25)23-10-4-5-14(12-23)18(24)22-17-9-6-13-11-15(21)7-8-16(13)17/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H,22,24)/t14-,17+/m1/s1
InChIKeyXSWOZBATQOVTKR-PBHICJAKSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94646783
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 96517030
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
(3R)-1-(cyclopropanecarbonyl)-N-[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]piperidine-3-carboxamide
CID 97259669
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-[3-(4-fluorophenyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 90608728
N-(3,5-difluoro-4-iodophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 60610834
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide (CID 94818124) is (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3cc(F)ccc32)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The InChIKey is XSWOZBATQOVTKR-PBHICJAKSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-20(2,3)19(25)23-10-4-5-14(12-23)18(24)22-17-9-6-13-11-15(21)7-8-16(13)17/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H,22,24)/t14-,17+/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94818124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).