3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione

C29H31N3O3 — CID 22449877

IUPAC3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31N3O3/c33-28-25-14-7-8-15-26(25)30-29(34)32(28)19-9-18-31-20-16-24(17-21-31)35-27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)
InChIKeyKEOGVNDBPUEVQI-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.35
Rot. Bonds8

About 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione

3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione (PubChem CID 22449877) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
PubChem CID22449877
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31N3O3/c33-28-25-14-7-8-15-26(25)30-29(34)32(28)19-9-18-31-20-16-24(17-21-31)35-27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,27H,9,16-21H2,(H,30,34)
InChIKeyKEOGVNDBPUEVQI-UHFFFAOYSA-N
XLogP4.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 13105612
7-amino-1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]quinazoline-2,4-dione
CID 22449621
1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-3-tert-butylquinazoline-2,4-dione;hydrochloride
CID 22449652
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 19379725
3-[[1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-2,4-dioxoquinazolin-7-yl]amino]-3-oxopropanoic acid
CID 22449885
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
methyl 1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-2,4-dioxoquinazoline-5-carboxylate;hydrochloride
CID 22449834
3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione;1H-quinazoline-2,4-dione;hydrochloride
CID 23075218
methyl 2-[[1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 22449741
ethyl 2-[1-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-2,4-dioxoquinazolin-3-yl]benzoate
CID 22449727
3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 19001789

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione (CID 22449877) is 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
The InChIKey is KEOGVNDBPUEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c33-28-25-14-7-8-15-26(25)30-29(34)32(28)19-9-18-31-20-16-24(17-21-31)35-27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,27H,9,16-21H2,(H,30,34).
What are the key properties of 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione?
3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione has a molecular weight of 469.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22449877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).