1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid

C16H17N3O5 — CID 119176148

IUPAC1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H17N3O5/c20-13(18-8-4-3-7-12(18)15(22)23)9-19-14(21)10-5-1-2-6-11(10)17-16(19)24/h1-2,5-6,12H,3-4,7-9H2,(H,17,24)(H,22,23)
InChIKeyPMCKBZMUFAZEDJ-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.16
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid

1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176148) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID119176148
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H17N3O5/c20-13(18-8-4-3-7-12(18)15(22)23)9-19-14(21)10-5-1-2-6-11(10)17-16(19)24/h1-2,5-6,12H,3-4,7-9H2,(H,17,24)(H,22,23)
InChIKeyPMCKBZMUFAZEDJ-UHFFFAOYSA-N
XLogP0.16
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 138996391
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119651054
(2S)-1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-2-carboxylic acid
CID 125132965
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
(2S)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 51427997
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 75421935
(2R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 79034879
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
2-[2-oxo-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-indazol-3-one
CID 118761404
3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 154737957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid (CID 119176148) is 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is PMCKBZMUFAZEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-13(18-8-4-3-7-12(18)15(22)23)9-19-14(21)10-5-1-2-6-11(10)17-16(19)24/h1-2,5-6,12H,3-4,7-9H2,(H,17,24)(H,22,23).
What are the key properties of 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).