methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

C15H28N2O4 — CID 112544763

IUPACmethyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11-8-12(16-14(19)21-15(2,3)4)10-17(9-11)7-6-13(18)20-5/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyMFCRXLJBUVXHBF-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.78
Rot. Bonds4

About methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate

methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (PubChem CID 112544763) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
PubChem CID112544763
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11-8-12(16-14(19)21-15(2,3)4)10-17(9-11)7-6-13(18)20-5/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyMFCRXLJBUVXHBF-UHFFFAOYSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate 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 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544390
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (CID 112544763) is methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is COC(=O)CCN1CC(C)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The InChIKey is MFCRXLJBUVXHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11-8-12(16-14(19)21-15(2,3)4)10-17(9-11)7-6-13(18)20-5/h11-12H,6-10H2,1-5H3,(H,16,19).
What are the key properties of methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is sourced from PubChem (CID 112544763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).