N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

C35H33FN4O3 — CID 46247472

IUPACN-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C35H33FN4O3/c36-31-12-6-4-10-28(31)24-39-32-13-7-5-11-30(32)34(42)40(35(39)43)23-26-14-16-27(17-15-26)33(41)37-29-18-20-38(21-19-29)22-25-8-2-1-3-9-25/h1-17,29H,18-24H2,(H,37,41)
InChIKeyWZIARCGWZVPAGD-UHFFFAOYSA-N
MW576.67 g/mol
LogP4.79
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (PubChem CID 46247472) has the molecular formula C35H33FN4O3 and a molecular weight of 576.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
PubChem CID46247472
Molecular FormulaC35H33FN4O3
Molecular Weight576.67 g/mol
Exact Mass576.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1
InChIInChI=1S/C35H33FN4O3/c36-31-12-6-4-10-28(31)24-39-32-13-7-5-11-30(32)34(42)40(35(39)43)23-26-14-16-27(17-15-26)33(41)37-29-18-20-38(21-19-29)22-25-8-2-1-3-9-25/h1-17,29H,18-24H2,(H,37,41)
InChIKeyWZIARCGWZVPAGD-UHFFFAOYSA-N
XLogP4.79
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.67
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
N-[(2-chlorophenyl)methyl]-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429981
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 22429669
N-cyclopentyl-4-[[1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247637
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[2-(4-chlorophenyl)ethyl]-4-[[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247428
N-[(2-chlorophenyl)methyl]-4-[[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 22429984
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (CID 46247472) is N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is WZIARCGWZVPAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O3/c36-31-12-6-4-10-28(31)24-39-32-13-7-5-11-30(32)34(42)40(35(39)43)23-26-14-16-27(17-15-26)33(41)37-29-18-20-38(21-19-29)22-25-8-2-1-3-9-25/h1-17,29H,18-24H2,(H,37,41).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 576.67 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 46247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).