methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate

C19H28N2O4 — CID 170979091

IUPACmethyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)cc1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)20-16-10-15(11-21(4)12-16)13-6-8-14(9-7-13)17(22)24-5/h6-9,15-16H,10-12H2,1-5H3,(H,20,23)
InChIKeyGLSPWWDKCNGQGO-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.79
Rot. Bonds3

About methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate

methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate (PubChem CID 170979091) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
PubChem CID170979091
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)cc1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)20-16-10-15(11-21(4)12-16)13-6-8-14(9-7-13)17(22)24-5/h6-9,15-16H,10-12H2,1-5H3,(H,20,23)
InChIKeyGLSPWWDKCNGQGO-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate with MolForge

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Related Compounds

tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-methoxycarbonylphenyl)pyrrolidine-1,2-dicarboxylate
CID 138971510
N-[5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]acetamide
CID 112541659
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
methyl 4-methyl-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]benzoate
CID 113256316

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate?
The IUPAC name of methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate (CID 170979091) is methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate?
The canonical SMILES for methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate is COC(=O)c1ccc(C2CC(NC(=O)OC(C)(C)C)CN(C)C2)cc1.
What is the InChIKey of methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate?
The InChIKey is GLSPWWDKCNGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)20-16-10-15(11-21(4)12-16)13-6-8-14(9-7-13)17(22)24-5/h6-9,15-16H,10-12H2,1-5H3,(H,20,23).
What are the key properties of methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate?
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate has a molecular weight of 348.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate is sourced from PubChem (CID 170979091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).