tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate

C16H28N4O3 — CID 106940659

IUPACtert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCc1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C16H28N4O3/c1-12-17-18-13(19(12)6)11-22-16(5)7-9-20(10-8-16)14(21)23-15(2,3)4/h7-11H2,1-6H3
InChIKeyPAASUMBSBRRZNV-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate (PubChem CID 106940659) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
PubChem CID106940659
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCc1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1C
InChIInChI=1S/C16H28N4O3/c1-12-17-18-13(19(12)6)11-22-16(5)7-9-20(10-8-16)14(21)23-15(2,3)4/h7-11H2,1-6H3
InChIKeyPAASUMBSBRRZNV-UHFFFAOYSA-N
XLogP2.43
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-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 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103915919
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 103915999
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate (CID 106940659) is tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate is Cc1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)n1C.
What is the InChIKey of tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The InChIKey is PAASUMBSBRRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-12-17-18-13(19(12)6)11-22-16(5)7-9-20(10-8-16)14(21)23-15(2,3)4/h7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 2.43, 3 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-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 106940659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).