3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C16H18N4O4 — CID 77088791

IUPAC3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccn1)C1CCCN(C(=O)CN2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18N4O4/c21-13-8-18-16(24)20(13)10-14(22)19-7-3-4-11(9-19)15(23)12-5-1-2-6-17-12/h1-2,5-6,11H,3-4,7-10H2,(H,18,24)
InChIKeyBZZXEHIJJSQFMQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.05
Rot. Bonds4

About 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 77088791) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID77088791
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C(c1ccccn1)C1CCCN(C(=O)CN2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18N4O4/c21-13-8-18-16(24)20(13)10-14(22)19-7-3-4-11(9-19)15(23)12-5-1-2-6-17-12/h1-2,5-6,11H,3-4,7-10H2,(H,18,24)
InChIKeyBZZXEHIJJSQFMQ-UHFFFAOYSA-N
XLogP0.05
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 45239576
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
3-benzylsulfanyl-1-[3-(pyridine-2-carbonyl)piperidin-1-yl]propan-1-one
CID 91831465
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 99935372
3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 72842570
3-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125001259
3-[2-[3-(3-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 72842853
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 77088791) is 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C(c1ccccn1)C1CCCN(C(=O)CN2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is BZZXEHIJJSQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-13-8-18-16(24)20(13)10-14(22)19-7-3-4-11(9-19)15(23)12-5-1-2-6-17-12/h1-2,5-6,11H,3-4,7-10H2,(H,18,24).
What are the key properties of 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 330.34 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 77088791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).