tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid

C12H22N6O2 — CID 67267284

IUPACtert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
SMILESCn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20)
InChIKeyVMPJYEXMJGUCAR-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.96
Rot. Bonds2

About tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid (PubChem CID 67267284) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
PubChem CID67267284
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Nametert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid
SMILESCn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20)
InChIKeyVMPJYEXMJGUCAR-UHFFFAOYSA-N
XLogP0.96
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid 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

methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
CID 78949955
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
tert-butyl-(1-cyclobutylpiperidin-4-yl)carbamic acid
CID 66868621
(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 146109412
2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63149713
3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63152308
tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid
CID 121349537
2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 146128343
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
CID 115538236

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid (CID 67267284) is tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid is Cn1nnnc1N1CCC(N(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
The InChIKey is VMPJYEXMJGUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-12(2,3)18(11(19)20)9-5-7-17(8-6-9)10-13-14-15-16(10)4/h9H,5-8H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid has a molecular weight of 282.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).