tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate

C19H27Cl2N3O4 — CID 88548340

IUPACtert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)Oc2cc(Cl)cnc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O4/c1-18(2,3)28-17(26)24-8-6-13(7-9-24)23-16(25)19(4,5)27-14-10-12(20)11-22-15(14)21/h10-11,13H,6-9H2,1-5H3,(H,23,25)
InChIKeyOSQDIBBJXQYCPB-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.06
Rot. Bonds4

About tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate (PubChem CID 88548340) has the molecular formula C19H27Cl2N3O4 and a molecular weight of 432.35 g/mol. Its IUPAC name is tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate
PubChem CID88548340
Molecular FormulaC19H27Cl2N3O4
Molecular Weight432.35 g/mol
Exact Mass431.14
IUPAC Nametert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)Oc2cc(Cl)cnc2Cl)CC1
InChIInChI=1S/C19H27Cl2N3O4/c1-18(2,3)28-17(26)24-8-6-13(7-9-24)23-16(25)19(4,5)27-14-10-12(20)11-22-15(14)21/h10-11,13H,6-9H2,1-5H3,(H,23,25)
InChIKeyOSQDIBBJXQYCPB-UHFFFAOYSA-N
XLogP4.06
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]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

tert-butyl 2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoate
CID 86671386
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
tert-butyl 4-[(5-chloro-4-iodo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 66936969
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
CID 127548323
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 3-(5-chloropyrimidin-2-yl)sulfanylpyrrolidine-1-carboxylate
CID 71302737
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
tert-butyl 4-(2,2,3-trimethylbut-3-enoylamino)piperidine-1-carboxylate
CID 126819529

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate (CID 88548340) is tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)Oc2cc(Cl)cnc2Cl)CC1.
What is the InChIKey of tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate?
The InChIKey is OSQDIBBJXQYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O4/c1-18(2,3)28-17(26)24-8-6-13(7-9-24)23-16(25)19(4,5)27-14-10-12(20)11-22-15(14)21/h10-11,13H,6-9H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate has a molecular weight of 432.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-[(2,5-dichloro-3-pyridinyl)oxy]-2-methylpropanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 88548340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).