1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione

C26H31N3O3 — CID 51046744

IUPAC1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-3-19(2)29-25(31)22-11-7-8-12-23(22)28(26(29)32)18-24(30)27-15-13-21(14-16-27)17-20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyKEMXKCVQKIIPNC-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione (PubChem CID 51046744) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
PubChem CID51046744
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
SMILESCCC(C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O3/c1-3-19(2)29-25(31)22-11-7-8-12-23(22)28(26(29)32)18-24(30)27-15-13-21(14-16-27)17-20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyKEMXKCVQKIIPNC-UHFFFAOYSA-N
XLogP3.62
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 46295480
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-propylacetamide
CID 51046763
[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
3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 15995715
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-ethyl-N-(4-ethylphenyl)acetamide
CID 51046752
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 51046705
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione (CID 51046744) is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione is CCC(C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione?
The InChIKey is KEMXKCVQKIIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-19(2)29-25(31)22-11-7-8-12-23(22)28(26(29)32)18-24(30)27-15-13-21(14-16-27)17-20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione?
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione has a molecular weight of 433.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 51046744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).