methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate

C16H28N2O4 — CID 112544651

IUPACmethyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC(=O)OC(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-12-8-11(14(19)21-4)9-18(10-12)13-6-5-7-13/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyZNUDRJNYWVVWBP-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds3

About methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate

methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate (PubChem CID 112544651) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
PubChem CID112544651
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Namemethyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC(=O)OC(C)(C)C)CN(C2CCC2)C1
InChIInChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-12-8-11(14(19)21-4)9-18(10-12)13-6-5-7-13/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeyZNUDRJNYWVVWBP-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-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 N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
CID 58235997
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
methyl N-[1-cyclopentyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543328

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The IUPAC name of methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate (CID 112544651) is methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate is COC(=O)C1CC(NC(=O)OC(C)(C)C)CN(C2CCC2)C1.
What is the InChIKey of methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
The InChIKey is ZNUDRJNYWVVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-16(2,3)22-15(20)17-12-8-11(14(19)21-4)9-18(10-12)13-6-5-7-13/h11-13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate?
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate is sourced from PubChem (CID 112544651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).