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

C16H30N2O4 — CID 112544764

IUPACmethyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCCC1CC(NC(=O)OC(C)(C)C)CN(CCC(=O)OC)C1
InChIInChI=1S/C16H30N2O4/c1-6-12-9-13(17-15(20)22-16(2,3)4)11-18(10-12)8-7-14(19)21-5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyMUZZVUODMINSNU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.17
Rot. Bonds5

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

methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (PubChem CID 112544764) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
PubChem CID112544764
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namemethyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
SMILESCCC1CC(NC(=O)OC(C)(C)C)CN(CCC(=O)OC)C1
InChIInChI=1S/C16H30N2O4/c1-6-12-9-13(17-15(20)22-16(2,3)4)11-18(10-12)8-7-14(19)21-5/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeyMUZZVUODMINSNU-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-ethyl-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

3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
methyl 3-[1-acetyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]propanoate
CID 112544479
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate (CID 112544764) is methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is CCC1CC(NC(=O)OC(C)(C)C)CN(CCC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
The InChIKey is MUZZVUODMINSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-12-9-13(17-15(20)22-16(2,3)4)11-18(10-12)8-7-14(19)21-5/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate?
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate has a molecular weight of 314.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate is sourced from PubChem (CID 112544764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).