3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide

C30H32N4O3 — CID 15994271

IUPAC3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESO=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H32N4O3/c35-28(31-25-15-18-32(19-16-25)21-23-9-3-1-4-10-23)17-20-33-29(36)26-13-7-8-14-27(26)34(30(33)37)22-24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H,31,35)
InChIKeyLUKWKZDXURZRMB-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.38
Rot. Bonds8

About 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide

3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 15994271) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID15994271
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESO=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H32N4O3/c35-28(31-25-15-18-32(19-16-25)21-23-9-3-1-4-10-23)17-20-33-29(36)26-13-7-8-14-27(26)34(30(33)37)22-24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H,31,35)
InChIKeyLUKWKZDXURZRMB-UHFFFAOYSA-N
XLogP3.38
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 24792813
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
5-[1-[(4-bromophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742795
N-(1-benzylpiperidin-4-yl)-4-[[1-[(2-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247472
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53022912
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide (CID 15994271) is 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide is O=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is LUKWKZDXURZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c35-28(31-25-15-18-32(19-16-25)21-23-9-3-1-4-10-23)17-20-33-29(36)26-13-7-8-14-27(26)34(30(33)37)22-24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H,31,35).
What are the key properties of 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 496.61 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 15994271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).