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

C20H28N4O2 — CID 60512788

IUPACtert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O2/c1-14-16-7-5-6-8-17(16)23-18(21-14)13-24-11-9-15(10-12-24)22-19(25)26-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,22,25)
InChIKeyBKZQOILHFUZQIT-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.43
Rot. Bonds3

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

tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 60512788) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
PubChem CID60512788
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Nametert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O2/c1-14-16-7-5-6-8-17(16)23-18(21-14)13-24-11-9-15(10-12-24)22-19(25)26-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,22,25)
InChIKeyBKZQOILHFUZQIT-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
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tert-butyl N-[1-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
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CID 159806556
tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252
tert-butyl N-[1-[(8-phenyl-1,6-naphthyridin-2-yl)methyl]piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate (CID 60512788) is tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate is Cc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccccc12.
What is the InChIKey of tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is BKZQOILHFUZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-16-7-5-6-8-17(16)23-18(21-14)13-24-11-9-15(10-12-24)22-19(25)26-20(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 3.43, 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-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).