methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate

C14H26N2O6S — CID 175200745

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(S(C)(=O)=O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O6S/c1-14(2,3)22-13(18)15-11-8-10(9-12(17)21-4)6-7-16(11)23(5,19)20/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyDMJICSFIPISOCK-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate (PubChem CID 175200745) has the molecular formula C14H26N2O6S and a molecular weight of 350.44 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate
PubChem CID175200745
Molecular FormulaC14H26N2O6S
Molecular Weight350.44 g/mol
Exact Mass350.15
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(S(C)(=O)=O)C(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O6S/c1-14(2,3)22-13(18)15-11-8-10(9-12(17)21-4)6-7-16(11)23(5,19)20/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyDMJICSFIPISOCK-UHFFFAOYSA-N
XLogP1.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate 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 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 124908075
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl N-[3-(2-oxobutyl)cyclopentyl]carbamate
CID 165465288
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
CID 70066827

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate (CID 175200745) is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate is COC(=O)CC1CCN(S(C)(=O)=O)C(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate?
The InChIKey is DMJICSFIPISOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6S/c1-14(2,3)22-13(18)15-11-8-10(9-12(17)21-4)6-7-16(11)23(5,19)20/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate has a molecular weight of 350.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfonylpiperidin-4-yl]acetate is sourced from PubChem (CID 175200745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).