1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate

C16H27N2O4- — CID 171136657

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])(N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-15(2,3)22-14(21)17-11-7-16(8-12-17,13(19)20)18-9-5-4-6-10-18/h4-12H2,1-3H3,(H,19,20)/p-1
InChIKeyJOBTUSMNKCSPAI-UHFFFAOYSA-M
MW311.40 g/mol
LogP0.99
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate (PubChem CID 171136657) has the molecular formula C16H27N2O4- and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate
PubChem CID171136657
Molecular FormulaC16H27N2O4-
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])(N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O4/c1-15(2,3)22-14(21)17-11-7-16(8-12-17,13(19)20)18-9-5-4-6-10-18/h4-12H2,1-3H3,(H,19,20)/p-1
InChIKeyJOBTUSMNKCSPAI-UHFFFAOYSA-M
XLogP0.99
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-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 azacyclopentadecane-1-carboxylate
CID 11771344
4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 170991967
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-[2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 124908861
4-(iodomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 139270550
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate (CID 171136657) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(N2CCCCC2)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate?
The InChIKey is JOBTUSMNKCSPAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28N2O4/c1-15(2,3)22-14(21)17-11-7-16(8-12-17,13(19)20)18-9-5-4-6-10-18/h4-12H2,1-3H3,(H,19,20)/p-1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate has a molecular weight of 311.40 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate is sourced from PubChem (CID 171136657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).