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

C14H16N4O3 — CID 121160175

IUPAC3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccncc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C14H16N4O3/c19-12-9-16-14(21)18(12)11-3-7-17(8-4-11)13(20)10-1-5-15-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,16,21)
InChIKeySWXFRLNYDJWNQV-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.24
Rot. Bonds2

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

3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160175) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160175
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccncc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C14H16N4O3/c19-12-9-16-14(21)18(12)11-3-7-17(8-4-11)13(20)10-1-5-15-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,16,21)
InChIKeySWXFRLNYDJWNQV-UHFFFAOYSA-N
XLogP0.24
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160270
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160201
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160186
3-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160226
3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160323

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160175) is 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(c1ccncc1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is SWXFRLNYDJWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-12-9-16-14(21)18(12)11-3-7-17(8-4-11)13(20)10-1-5-15-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,16,21).
What are the key properties of 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).