tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate

C23H29FN4O3 — CID 20829978

IUPACtert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H29FN4O3/c1-23(2,3)31-22(30)28-12-10-19(11-13-28)27(4)21(29)26-20-9-8-17(15-25-20)16-6-5-7-18(24)14-16/h5-9,14-15,19H,10-13H2,1-4H3,(H,25,26,29)
InChIKeyQNMBOYOTJACVED-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate (PubChem CID 20829978) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate
PubChem CID20829978
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Nametert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H29FN4O3/c1-23(2,3)31-22(30)28-12-10-19(11-13-28)27(4)21(29)26-20-9-8-17(15-25-20)16-6-5-7-18(24)14-16/h5-9,14-15,19H,10-13H2,1-4H3,(H,25,26,29)
InChIKeyQNMBOYOTJACVED-UHFFFAOYSA-N
XLogP4.75
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate (CID 20829978) is tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate is CN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate?
The InChIKey is QNMBOYOTJACVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-23(2,3)31-22(30)28-12-10-19(11-13-28)27(4)21(29)26-20-9-8-17(15-25-20)16-6-5-7-18(24)14-16/h5-9,14-15,19H,10-13H2,1-4H3,(H,25,26,29).
What are the key properties of tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(3-fluorophenyl)-2-pyridinyl]carbamoyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 20829978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).