tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate

C19H28FN3O3 — CID 18792820

IUPACtert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCNC(=O)C(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O3/c1-19(2,3)26-18(25)23-11-9-15(10-12-23)22-16(17(24)21-4)13-5-7-14(20)8-6-13/h5-8,15-16,22H,9-12H2,1-4H3,(H,21,24)
InChIKeyCKWDKFHFPJOLAU-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.60
Rot. Bonds4

About tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 18792820) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID18792820
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Nametert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCNC(=O)C(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O3/c1-19(2,3)26-18(25)23-11-9-15(10-12-23)22-16(17(24)21-4)13-5-7-14(20)8-6-13/h5-8,15-16,22H,9-12H2,1-4H3,(H,21,24)
InChIKeyCKWDKFHFPJOLAU-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 18792820) is tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is CNC(=O)C(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is CKWDKFHFPJOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-19(2,3)26-18(25)23-11-9-15(10-12-23)22-16(17(24)21-4)13-5-7-14(20)8-6-13/h5-8,15-16,22H,9-12H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 365.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(4-fluorophenyl)-2-(methylamino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 18792820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).