tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate

C20H23FN2O5 — CID 11974459

IUPACtert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(=O)c3cc(F)ccc3o2)CC1
InChIInChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)22-18(25)17-11-15(24)14-10-12(21)4-5-16(14)27-17/h4-5,10-11,13H,6-9H2,1-3H3,(H,22,25)
InChIKeyCIPDOAAFFBDENV-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 11974459) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID11974459
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Nametert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(=O)c3cc(F)ccc3o2)CC1
InChIInChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)22-18(25)17-11-15(24)14-10-12(21)4-5-16(14)27-17/h4-5,10-11,13H,6-9H2,1-3H3,(H,22,25)
InChIKeyCIPDOAAFFBDENV-UHFFFAOYSA-N
XLogP3.06
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 11464405
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
tert-butyl 4-[(2-amino-5-methylbenzoyl)amino]piperidine-1-carboxylate
CID 126455593
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 169209417
tert-butyl (3R)-3-[(4-amino-2-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 122598249
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate (CID 11974459) is tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(=O)c3cc(F)ccc3o2)CC1.
What is the InChIKey of tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is CIPDOAAFFBDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-6-13(7-9-23)22-18(25)17-11-15(24)14-10-12(21)4-5-16(14)27-17/h4-5,10-11,13H,6-9H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 390.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-fluoro-4-oxochromene-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 11974459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).