N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide

C24H28N4O — CID 58770643

IUPACN-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2CCC(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17(2)18-7-9-20(10-8-18)27-23(29)15-28-13-11-19(12-14-28)24-21-5-3-4-6-22(21)25-16-26-24/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,29)
InChIKeyIWRKWWZWKPHEFK-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.57
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide

N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide (PubChem CID 58770643) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide
PubChem CID58770643
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2CCC(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17(2)18-7-9-20(10-8-18)27-23(29)15-28-13-11-19(12-14-28)24-21-5-3-4-6-22(21)25-16-26-24/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,29)
InChIKeyIWRKWWZWKPHEFK-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-(4-chlorophenyl)acetamide;4-cyclohexylquinazoline
CID 145078398
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119933876
N-(4-hydroxyphenyl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 47021714
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 95123399
2-[1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618096
N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 58770598
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56792884
N-(4-propan-2-ylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 2811491
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide (CID 58770643) is N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide is CC(C)c1ccc(NC(=O)CN2CCC(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide?
The InChIKey is IWRKWWZWKPHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)18-7-9-20(10-8-18)27-23(29)15-28-13-11-19(12-14-28)24-21-5-3-4-6-22(21)25-16-26-24/h3-10,16-17,19H,11-15H2,1-2H3,(H,27,29).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide?
N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-quinazolin-4-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 58770643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).