tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate

C21H30N4O2 — CID 133300739

IUPACtert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
SMILESCc1ccc2ncnc(N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C21H30N4O2/c1-15-8-9-18-17(11-15)19(23-14-22-18)25-10-6-7-16(13-25)12-24(5)20(26)27-21(2,3)4/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3
InChIKeyPLEGZYAPWINDGZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.02
Rot. Bonds3

About tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate

tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate (PubChem CID 133300739) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
PubChem CID133300739
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Nametert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
SMILESCc1ccc2ncnc(N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C21H30N4O2/c1-15-8-9-18-17(11-15)19(23-14-22-18)25-10-6-7-16(13-25)12-24(5)20(26)27-21(2,3)4/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3
InChIKeyPLEGZYAPWINDGZ-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate (CID 133300739) is tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate is Cc1ccc2ncnc(N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2c1.
What is the InChIKey of tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate?
The InChIKey is PLEGZYAPWINDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-8-9-18-17(11-15)19(23-14-22-18)25-10-6-7-16(13-25)12-24(5)20(26)27-21(2,3)4/h8-9,11,14,16H,6-7,10,12-13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate has a molecular weight of 370.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 133300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).