methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate

C18H28N4O5 — CID 67209275

IUPACmethyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O5/c1-18(2,3)27-17(24)19-11-12-6-8-22(9-7-12)16-20-13(15(23)26-5)10-14(21-16)25-4/h10,12H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyRJYOCZLGXRBPEX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.01
Rot. Bonds5

About methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate

methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate (PubChem CID 67209275) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
PubChem CID67209275
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Namemethyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H28N4O5/c1-18(2,3)27-17(24)19-11-12-6-8-22(9-7-12)16-20-13(15(23)26-5)10-14(21-16)25-4/h10,12H,6-9,11H2,1-5H3,(H,19,24)
InChIKeyRJYOCZLGXRBPEX-UHFFFAOYSA-N
XLogP2.01
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 86709788
tert-butyl N-[[4-[[(2-chloro-6-methoxypyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002083
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815
6-methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 171767601
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
tert-butyl N-[[1-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 145433487
tert-butyl N-[[1-[4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]methyl]carbamate
CID 91391095
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate (CID 67209275) is methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(OC)nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate?
The InChIKey is RJYOCZLGXRBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-18(2,3)27-17(24)19-11-12-6-8-22(9-7-12)16-20-13(15(23)26-5)10-14(21-16)25-4/h10,12H,6-9,11H2,1-5H3,(H,19,24).
What are the key properties of methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate?
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 67209275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).