tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate

C18H25FN2O3 — CID 67231354

IUPACtert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)20-13-18(19)9-11-21(12-10-18)15(22)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,23)
InChIKeyCZTQJUAACGOHSG-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate (PubChem CID 67231354) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
PubChem CID67231354
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)20-13-18(19)9-11-21(12-10-18)15(22)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,23)
InChIKeyCZTQJUAACGOHSG-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
CID 118874546
tert-butyl N-[(1,4-dibenzoylpiperazin-2-yl)methyl]carbamate
CID 140891865
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
2-(1-benzoylpiperidin-4-yl)-3-methoxypropanoic acid;tert-butyl N-[1-benzoyl-4-(methoxymethyl)piperidin-4-yl]carbamate
CID 161385520
tert-butyl N-[3-[3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5-(trifluoromethyl)phenoxy]propyl]carbamate
CID 126601652
tert-butyl N-[3-oxo-3-[[1-(4-phenylbenzoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919215
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
tert-butyl N-[2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543146
1-(3-chlorobenzoyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
CID 171662763
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate (CID 67231354) is tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate?
The InChIKey is CZTQJUAACGOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)20-13-18(19)9-11-21(12-10-18)15(22)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate has a molecular weight of 336.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 67231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).