tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate

C24H36FN3O4 — CID 55877557

IUPACtert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC1CN(c2ccc(CNC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)CC(C)O1
InChIInChI=1S/C24H36FN3O4/c1-16-13-28(14-17(2)31-16)21-9-8-18(11-20(21)25)12-26-22(29)19-7-6-10-27(15-19)23(30)32-24(3,4)5/h8-9,11,16-17,19H,6-7,10,12-15H2,1-5H3,(H,26,29)
InChIKeyAGGSAKNBVKASMM-UHFFFAOYSA-N
MW449.57 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 55877557) has the molecular formula C24H36FN3O4 and a molecular weight of 449.57 g/mol. Its IUPAC name is tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate
PubChem CID55877557
Molecular FormulaC24H36FN3O4
Molecular Weight449.57 g/mol
Exact Mass449.27
IUPAC Nametert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC1CN(c2ccc(CNC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)CC(C)O1
InChIInChI=1S/C24H36FN3O4/c1-16-13-28(14-17(2)31-16)21-9-8-18(11-20(21)25)12-26-22(29)19-7-6-10-27(15-19)23(30)32-24(3,4)5/h8-9,11,16-17,19H,6-7,10,12-15H2,1-5H3,(H,26,29)
InChIKeyAGGSAKNBVKASMM-UHFFFAOYSA-N
XLogP3.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]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

Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
tert-butyl (3R)-3-[(4-cyanophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 94044438
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
tert-butyl 3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 56552152
tert-butyl 3-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 71630780
tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorobenzoyl]amino]pyrrolidine-1-carboxylate
CID 175091768
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
tert-butyl (3S)-3-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylate
CID 177213724
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate (CID 55877557) is tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate is CC1CN(c2ccc(CNC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cc2F)CC(C)O1.
What is the InChIKey of tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is AGGSAKNBVKASMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O4/c1-16-13-28(14-17(2)31-16)21-9-8-18(11-20(21)25)12-26-22(29)19-7-6-10-27(15-19)23(30)32-24(3,4)5/h8-9,11,16-17,19H,6-7,10,12-15H2,1-5H3,(H,26,29).
What are the key properties of tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 449.57 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55877557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).