tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate

C20H28N4O2 — CID 133397040

IUPACtert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
SMILESCc1cccc2ncnc(N3CCCCC3CNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C20H28N4O2/c1-14-8-7-10-16-17(14)18(23-13-22-16)24-11-6-5-9-15(24)12-21-19(25)26-20(2,3)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,25)
InChIKeyOWNHFDDNLUXZNS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate (PubChem CID 133397040) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
PubChem CID133397040
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Nametert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
SMILESCc1cccc2ncnc(N3CCCCC3CNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C20H28N4O2/c1-14-8-7-10-16-17(14)18(23-13-22-16)24-11-6-5-9-15(24)12-21-19(25)26-20(2,3)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,25)
InChIKeyOWNHFDDNLUXZNS-UHFFFAOYSA-N
XLogP3.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[[(2R)-1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[1-(5-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
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[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
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tert-butyl N-[[(2S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[1-(6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate (CID 133397040) is tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate is Cc1cccc2ncnc(N3CCCCC3CNC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate?
The InChIKey is OWNHFDDNLUXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-8-7-10-16-17(14)18(23-13-22-16)24-11-6-5-9-15(24)12-21-19(25)26-20(2,3)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 133397040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).