N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide

C20H28FN5O — CID 119049557

IUPACN-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2ncnc3c(F)cccc23)CC1
InChIInChI=1S/C20H28FN5O/c1-20(2,3)25-17(27)12-26-9-7-14(8-10-26)11-22-19-15-5-4-6-16(21)18(15)23-13-24-19/h4-6,13-14H,7-12H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyOWZYPQDHEORYMK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.81
Rot. Bonds5

About N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide

N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide (PubChem CID 119049557) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
PubChem CID119049557
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC NameN-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCC(CNc2ncnc3c(F)cccc23)CC1
InChIInChI=1S/C20H28FN5O/c1-20(2,3)25-17(27)12-26-9-7-14(8-10-26)11-22-19-15-5-4-6-16(21)18(15)23-13-24-19/h4-6,13-14H,7-12H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyOWZYPQDHEORYMK-UHFFFAOYSA-N
XLogP2.81
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide (CID 119049557) is N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCC(CNc2ncnc3c(F)cccc23)CC1.
What is the InChIKey of N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
The InChIKey is OWZYPQDHEORYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-20(2,3)25-17(27)12-26-9-7-14(8-10-26)11-22-19-15-5-4-6-16(21)18(15)23-13-24-19/h4-6,13-14H,7-12H2,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide?
N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[(8-fluoroquinazolin-4-yl)amino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 119049557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).