9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate

C24H26F2N2O3 — CID 175170385

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
SMILESC[C@@H](CC(=O)N1CCC(F)(F)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H26F2N2O3/c1-16(14-22(29)28-12-10-24(25,26)11-13-28)27-23(30)31-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyKYDRKCQEFNGVDR-INIZCTEOSA-N
MW428.48 g/mol
LogP4.56
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate (PubChem CID 175170385) has the molecular formula C24H26F2N2O3 and a molecular weight of 428.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
PubChem CID175170385
Molecular FormulaC24H26F2N2O3
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
SMILESC[C@@H](CC(=O)N1CCC(F)(F)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H26F2N2O3/c1-16(14-22(29)28-12-10-24(25,26)11-13-28)27-23(30)31-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-15H2,1H3,(H,27,30)/t16-/m0/s1
InChIKeyKYDRKCQEFNGVDR-INIZCTEOSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

(2S)-4-(4,4-difluoropiperidin-1-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 156690904
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(2R,4R)-1-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178191895
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 122240309
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
tert-butyl (2S)-4-(4,4-difluoropiperidin-1-yl)-2-[[9H-fluoren-9-ylmethoxy(hydroxy)methyl]amino]-4-oxobutanoate
CID 154936349
tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoate
CID 169448611
(2S)-3-(4,4-difluorocyclohexyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 146013652
9H-fluoren-9-ylmethyl N-[1-(cyclobutylsulfamoyl)-4-(3,3-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate
CID 129219896
tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 162717192

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate (CID 175170385) is 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate is C[C@@H](CC(=O)N1CCC(F)(F)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate?
The InChIKey is KYDRKCQEFNGVDR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26F2N2O3/c1-16(14-22(29)28-12-10-24(25,26)11-13-28)27-23(30)31-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,16,21H,10-15H2,1H3,(H,27,30)/t16-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate has a molecular weight of 428.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-4-(4,4-difluoropiperidin-1-yl)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 175170385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).