1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione

C23H23N3O4 — CID 41310154

IUPAC1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-19-9-5-4-8-18(19)22(29)24-23(26)30)25-13-10-17(11-14-25)21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29,30)
InChIKeyZZSMHWOTNVDLLW-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione

1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 41310154) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
PubChem CID41310154
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(c1ccccc1)C1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-19-9-5-4-8-18(19)22(29)24-23(26)30)25-13-10-17(11-14-25)21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29,30)
InChIKeyZZSMHWOTNVDLLW-UHFFFAOYSA-N
XLogP2.20
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 167763098
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione (CID 41310154) is 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione is O=C(c1ccccc1)C1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is ZZSMHWOTNVDLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-20(12-15-26-19-9-5-4-8-18(19)22(29)24-23(26)30)25-13-10-17(11-14-25)21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,29,30).
What are the key properties of 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 405.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 41310154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).