N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

C28H28N4O3 — CID 22588176

IUPACN-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C28H28N4O3/c33-26(29-23-14-16-31(17-15-23)18-20-6-2-1-3-7-20)22-12-10-21(11-13-22)19-32-27(34)24-8-4-5-9-25(24)30-28(32)35/h1-13,23H,14-19H2,(H,29,33)(H,30,35)
InChIKeyMDRNLVAYQREYDB-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.13
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (PubChem CID 22588176) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
PubChem CID22588176
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C28H28N4O3/c33-26(29-23-14-16-31(17-15-23)18-20-6-2-1-3-7-20)22-12-10-21(11-13-22)19-32-27(34)24-8-4-5-9-25(24)30-28(32)35/h1-13,23H,14-19H2,(H,29,33)(H,30,35)
InChIKeyMDRNLVAYQREYDB-UHFFFAOYSA-N
XLogP3.13
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22423244
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (CID 22588176) is N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The InChIKey is MDRNLVAYQREYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c33-26(29-23-14-16-31(17-15-23)18-20-6-2-1-3-7-20)22-12-10-21(11-13-22)19-32-27(34)24-8-4-5-9-25(24)30-28(32)35/h1-13,23H,14-19H2,(H,29,33)(H,30,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide has a molecular weight of 468.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 22588176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).