3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

C24H28N4O3 — CID 24551664

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-26(17-18-9-3-5-11-20(18)27-14-7-2-8-15-27)22(29)13-16-28-21-12-6-4-10-19(21)23(30)25-24(28)31/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,25,30,31)
InChIKeyOOTOMNXBQZYTDY-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.73
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 24551664) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID24551664
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-26(17-18-9-3-5-11-20(18)27-14-7-2-8-15-27)22(29)13-16-28-21-12-6-4-10-19(21)23(30)25-24(28)31/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,25,30,31)
InChIKeyOOTOMNXBQZYTDY-UHFFFAOYSA-N
XLogP2.73
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041
N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 137287838
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17468906
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 17413624
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 55415811
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
N-methyl-2,4-dioxo-1-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 78844910
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 135960488

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide (CID 24551664) is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCCC1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is OOTOMNXBQZYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-26(17-18-9-3-5-11-20(18)27-14-7-2-8-15-27)22(29)13-16-28-21-12-6-4-10-19(21)23(30)25-24(28)31/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,25,30,31).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 24551664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).