methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate

C19H34N2O5 — CID 141287219

IUPACmethyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate
SMILESCOC(=O)C1CCOCC1CN1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-18(23)20-11-14-5-8-21(9-6-14)12-15-13-25-10-7-16(15)17(22)24-4/h14-16H,5-13H2,1-4H3,(H,20,23)
InChIKeyQWNOTLCXNFLGEW-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.05
Rot. Bonds5

About methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate

methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate (PubChem CID 141287219) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate
PubChem CID141287219
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Namemethyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate
SMILESCOC(=O)C1CCOCC1CN1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-18(23)20-11-14-5-8-21(9-6-14)12-15-13-25-10-7-16(15)17(22)24-4/h14-16H,5-13H2,1-4H3,(H,20,23)
InChIKeyQWNOTLCXNFLGEW-UHFFFAOYSA-N
XLogP2.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 141269835
4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid
CID 67231994
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[1-[2-(oxetan-3-yl)acetyl]piperidin-4-yl]methyl]carbamate
CID 142459312
methyl 1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclopentane-1-carboxylate
CID 67232469
tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
CID 83920436
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate?
The IUPAC name of methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate (CID 141287219) is methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate.
What is the SMILES notation for methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate?
The canonical SMILES for methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate is COC(=O)C1CCOCC1CN1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate?
The InChIKey is QWNOTLCXNFLGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-19(2,3)26-18(23)20-11-14-5-8-21(9-6-14)12-15-13-25-10-7-16(15)17(22)24-4/h14-16H,5-13H2,1-4H3,(H,20,23).
What are the key properties of methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate?
methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate is sourced from PubChem (CID 141287219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).