9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate

C28H36N2O3 — CID 164975405

IUPAC9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate
SMILESCC1C[C@H]1CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N1O
InChIInChI=1S/C28H36N2O3/c1-18-13-19(18)14-28(4)16-20(15-27(2,3)30(28)32)29-26(31)33-17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-12,18-20,25,32H,13-17H2,1-4H3,(H,29,31)/t18?,19-,20?,28?/m0/s1
InChIKeyDRYXIUYPPPHBAF-IHKGGVLISA-N
MW448.61 g/mol
LogP5.96
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate (PubChem CID 164975405) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate
PubChem CID164975405
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate
SMILESCC1C[C@H]1CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N1O
InChIInChI=1S/C28H36N2O3/c1-18-13-19(18)14-28(4)16-20(15-27(2,3)30(28)32)29-26(31)33-17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-12,18-20,25,32H,13-17H2,1-4H3,(H,29,31)/t18?,19-,20?,28?/m0/s1
InChIKeyDRYXIUYPPPHBAF-IHKGGVLISA-N
XLogP5.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxy-2,2,6,6-tetramethylpiperidine-3-carboxylic acid
CID 46781668
9H-fluoren-9-ylmethyl N-[(2S)-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 98126653
2-[(3S,4S)-1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178198303
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
cis-(1S,3R)-3-[[(1R,3R,5R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192652
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate (CID 164975405) is 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate is CC1C[C@H]1CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC(C)(C)N1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate?
The InChIKey is DRYXIUYPPPHBAF-IHKGGVLISA-N. The full InChI is InChI=1S/C28H36N2O3/c1-18-13-19(18)14-28(4)16-20(15-27(2,3)30(28)32)29-26(31)33-17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-12,18-20,25,32H,13-17H2,1-4H3,(H,29,31)/t18?,19-,20?,28?/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate has a molecular weight of 448.61 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 164975405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).