(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

C19H21N3O5 — CID 129467529

IUPAC(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C19H21N3O5/c23-16-8-10-21(11-14-5-2-1-3-6-14)19(27)22(16)13-17(24)20-9-4-7-15(12-20)18(25)26/h1-3,5-6,8,10,15H,4,7,9,11-13H2,(H,25,26)/t15-/m1/s1
InChIKeyUAWPPYBDOWQWIF-OAHLLOKOSA-N
MW371.39 g/mol
LogP0.38
Rot. Bonds5

About (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 129467529) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID129467529
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1
InChIInChI=1S/C19H21N3O5/c23-16-8-10-21(11-14-5-2-1-3-6-14)19(27)22(16)13-17(24)20-9-4-7-15(12-20)18(25)26/h1-3,5-6,8,10,15H,4,7,9,11-13H2,(H,25,26)/t15-/m1/s1
InChIKeyUAWPPYBDOWQWIF-OAHLLOKOSA-N
XLogP0.38
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione;hydrochloride
CID 119519138
1-benzyl-3-[2-oxo-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]pyrimidine-2,4-dione
CID 112823560
3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione
CID 41412063
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
1-benzyl-3-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]pyrimidine-2,4-dione
CID 112816698
(3R)-1-[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylic acid
CID 95389667
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 169109303
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 129467529) is (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1.
What is the InChIKey of (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is UAWPPYBDOWQWIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-16-8-10-21(11-14-5-2-1-3-6-14)19(27)22(16)13-17(24)20-9-4-7-15(12-20)18(25)26/h1-3,5-6,8,10,15H,4,7,9,11-13H2,(H,25,26)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129467529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).