1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione

C26H31N3O4 — CID 6502276

IUPAC1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O4/c1-33-17-7-14-28-25(31)22-10-5-6-11-23(22)29(26(28)32)19-24(30)27-15-12-21(13-16-27)18-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3
InChIKeyYKNLOFDCCUPBFA-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.68
Rot. Bonds8

About 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione (PubChem CID 6502276) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
PubChem CID6502276
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O4/c1-33-17-7-14-28-25(31)22-10-5-6-11-23(22)29(26(28)32)19-24(30)27-15-12-21(13-16-27)18-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3
InChIKeyYKNLOFDCCUPBFA-UHFFFAOYSA-N
XLogP2.68
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetyl]piperidine-4-carboxylate
CID 51046827
3-(3-methoxypropyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 51046817
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 46295480
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)piperazin-2-one
CID 146124667
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587222
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 171146053
5-(4-benzylpiperidine-1-carbonyl)-6-(3-methoxypropyl)-10-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4905087
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
N-ethyl-N-(4-ethylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046823

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione (CID 6502276) is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione is COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione?
The InChIKey is YKNLOFDCCUPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-33-17-7-14-28-25(31)22-10-5-6-11-23(22)29(26(28)32)19-24(30)27-15-12-21(13-16-27)18-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione?
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione has a molecular weight of 449.55 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione is sourced from PubChem (CID 6502276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).