3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C14H19N5O3 — CID 127247316

IUPAC3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C14H19N5O3/c1-9-6-16-17-13(9)10-4-2-3-5-18(10)12(21)8-19-11(20)7-15-14(19)22/h6,10H,2-5,7-8H2,1H3,(H,15,22)(H,16,17)
InChIKeyUZSVIZNIWLQFMX-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.32
Rot. Bonds3

About 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 127247316) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID127247316
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C14H19N5O3/c1-9-6-16-17-13(9)10-4-2-3-5-18(10)12(21)8-19-11(20)7-15-14(19)22/h6,10H,2-5,7-8H2,1H3,(H,15,22)(H,16,17)
InChIKeyUZSVIZNIWLQFMX-UHFFFAOYSA-N
XLogP0.32
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110096331
1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124941970
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
3-(2-fluorophenyl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124950069
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124952381
ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
CID 78911693
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124953230
3-(benzotriazol-1-yl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124994474

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 127247316) is 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1cn[nH]c1C1CCCCN1C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is UZSVIZNIWLQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-9-6-16-17-13(9)10-4-2-3-5-18(10)12(21)8-19-11(20)7-15-14(19)22/h6,10H,2-5,7-8H2,1H3,(H,15,22)(H,16,17).
What are the key properties of 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 127247316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).