1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

C16H18FN3O4 — CID 167763098

IUPAC1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1C[C@H](O)C[C@H](F)C1
InChIInChI=1S/C16H18FN3O4/c17-10-7-11(21)9-19(8-10)14(22)5-6-20-13-4-2-1-3-12(13)15(23)18-16(20)24/h1-4,10-11,21H,5-9H2,(H,18,23,24)/t10-,11+/m0/s1
InChIKeyXMCKLJKUJOSHJB-WDEREUQCSA-N
MW335.34 g/mol
LogP0.01
Rot. Bonds3

About 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione

1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 167763098) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
PubChem CID167763098
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1C[C@H](O)C[C@H](F)C1
InChIInChI=1S/C16H18FN3O4/c17-10-7-11(21)9-19(8-10)14(22)5-6-20-13-4-2-1-3-12(13)15(23)18-16(20)24/h1-4,10-11,21H,5-9H2,(H,18,23,24)/t10-,11+/m0/s1
InChIKeyXMCKLJKUJOSHJB-WDEREUQCSA-N
XLogP0.01
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione with MolForge

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Related Compounds

1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
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-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
(2S,3aR,7aR)-1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132531
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione (CID 167763098) is 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1C[C@H](O)C[C@H](F)C1.
What is the InChIKey of 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is XMCKLJKUJOSHJB-WDEREUQCSA-N. The full InChI is InChI=1S/C16H18FN3O4/c17-10-7-11(21)9-19(8-10)14(22)5-6-20-13-4-2-1-3-12(13)15(23)18-16(20)24/h1-4,10-11,21H,5-9H2,(H,18,23,24)/t10-,11+/m0/s1.
What are the key properties of 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione?
1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 335.34 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 167763098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).