tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate

C20H30FN3O3 — CID 60614622

IUPACtert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CCC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)22-13-15-6-5-10-24(14-15)11-9-18(25)23-17-8-4-7-16(21)12-17/h4,7-8,12,15H,5-6,9-11,13-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIZURNROXIYPCHF-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate (PubChem CID 60614622) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
PubChem CID60614622
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Nametert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(CCC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)22-13-15-6-5-10-24(14-15)11-9-18(25)23-17-8-4-7-16(21)12-17/h4,7-8,12,15H,5-6,9-11,13-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIZURNROXIYPCHF-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[3-(2-chloroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
CID 60614621
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CID 95197793
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
1-(3-fluorophenyl)-3-[[1-[2-(2-phenoxyethoxy)ethyl]piperidin-3-yl]methyl]urea
CID 86904453
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate (CID 60614622) is tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCN(CCC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is IZURNROXIYPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-20(2,3)27-19(26)22-13-15-6-5-10-24(14-15)11-9-18(25)23-17-8-4-7-16(21)12-17/h4,7-8,12,15H,5-6,9-11,13-14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 379.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 60614622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).