tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate

C21H26N4O3 — CID 133395574

IUPACtert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1c1ncnc2c1oc1ccccc12
InChIInChI=1S/C21H26N4O3/c1-13-11-14(24-20(26)28-21(2,3)4)9-10-25(13)19-18-17(22-12-23-19)15-7-5-6-8-16(15)27-18/h5-8,12-14H,9-11H2,1-4H3,(H,24,26)
InChIKeyIAWCVUVORNXZOV-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate (PubChem CID 133395574) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
PubChem CID133395574
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Nametert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1c1ncnc2c1oc1ccccc12
InChIInChI=1S/C21H26N4O3/c1-13-11-14(24-20(26)28-21(2,3)4)9-10-25(13)19-18-17(22-12-23-19)15-7-5-6-8-16(15)27-18/h5-8,12-14H,9-11H2,1-4H3,(H,24,26)
InChIKeyIAWCVUVORNXZOV-UHFFFAOYSA-N
XLogP4.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]piperidin-4-yl]carbamate
CID 55736228
tert-butyl N-[1-(2-tert-butylpyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395545
tert-butyl N-[1-(1-chloroisoquinolin-3-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395576
tert-butyl N-[[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 133300884
tert-butyl N-[1-(5-bromopyrimidin-2-yl)-2-methylpiperidin-4-yl]carbamate
CID 133395587
tert-butyl N-[2-methyl-1-(2-nitrophenyl)piperidin-4-yl]carbamate
CID 133395563
tert-butyl N-[2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]carbamate
CID 133395620
ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate;hydrochloride
CID 2952391
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
tert-butyl N-[2-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395610
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
tert-butyl N-[2-methyl-1-[5-[(4-methylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 133395591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate (CID 133395574) is tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate is CC1CC(NC(=O)OC(C)(C)C)CCN1c1ncnc2c1oc1ccccc12.
What is the InChIKey of tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
The InChIKey is IAWCVUVORNXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-11-14(24-20(26)28-21(2,3)4)9-10-25(13)19-18-17(22-12-23-19)15-7-5-6-8-16(15)27-18/h5-8,12-14H,9-11H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-2-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 133395574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).