tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C21H31FN2O3 — CID 55826736

IUPACtert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H31FN2O3/c1-15(2)24(20(26)27-21(3,4)5)14-16-7-6-12-23(13-16)19(25)17-8-10-18(22)11-9-17/h8-11,15-16H,6-7,12-14H2,1-5H3
InChIKeyARMZLRJFEGIUQZ-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55826736) has the molecular formula C21H31FN2O3 and a molecular weight of 378.49 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55826736
Molecular FormulaC21H31FN2O3
Molecular Weight378.49 g/mol
Exact Mass378.23
IUPAC Nametert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H31FN2O3/c1-15(2)24(20(26)27-21(3,4)5)14-16-7-6-12-23(13-16)19(25)17-8-10-18(22)11-9-17/h8-11,15-16H,6-7,12-14H2,1-5H3
InChIKeyARMZLRJFEGIUQZ-UHFFFAOYSA-N
XLogP4.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[1-(4-bromo-3,5-dimethoxybenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825835
tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826224
tert-butyl N-[[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825194
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-[[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 60568271
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
tert-butyl N-[[(3S)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963405
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
tert-butyl N-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 56586751
tert-butyl N-[[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55822568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55826736) is tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is ARMZLRJFEGIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3/c1-15(2)24(20(26)27-21(3,4)5)14-16-7-6-12-23(13-16)19(25)17-8-10-18(22)11-9-17/h8-11,15-16H,6-7,12-14H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 378.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55826736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).