tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate

C25H39N3O5 — CID 53492593

IUPACtert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate
SMILESCc1nc(OC2CCC(OC3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H39N3O5/c1-17-21(23(29)27(5)6)11-12-22(26-17)32-19-9-7-18(8-10-19)31-20-13-15-28(16-14-20)24(30)33-25(2,3)4/h11-12,18-20H,7-10,13-16H2,1-6H3
InChIKeyQGJZCNZLQJHOHH-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate

tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate (PubChem CID 53492593) has the molecular formula C25H39N3O5 and a molecular weight of 461.60 g/mol. Its IUPAC name is tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate
PubChem CID53492593
Molecular FormulaC25H39N3O5
Molecular Weight461.60 g/mol
Exact Mass461.29
IUPAC Nametert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate
SMILESCc1nc(OC2CCC(OC3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1C(=O)N(C)C
InChIInChI=1S/C25H39N3O5/c1-17-21(23(29)27(5)6)11-12-22(26-17)32-19-9-7-18(8-10-19)31-20-13-15-28(16-14-20)24(30)33-25(2,3)4/h11-12,18-20H,7-10,13-16H2,1-6H3
InChIKeyQGJZCNZLQJHOHH-UHFFFAOYSA-N
XLogP4.20
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-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-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate (CID 53492593) is tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate is Cc1nc(OC2CCC(OC3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1C(=O)N(C)C.
What is the InChIKey of tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate?
The InChIKey is QGJZCNZLQJHOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O5/c1-17-21(23(29)27(5)6)11-12-22(26-17)32-19-9-7-18(8-10-19)31-20-13-15-28(16-14-20)24(30)33-25(2,3)4/h11-12,18-20H,7-10,13-16H2,1-6H3.
What are the key properties of tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate?
tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate has a molecular weight of 461.60 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[5-(dimethylcarbamoyl)-6-methyl-2-pyridinyl]oxy]cyclohexyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 53492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).