5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione

C16H21N5O3 — CID 75526383

IUPAC5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCn1cc(C2CC2C(=O)N2CCCC(C3NC(=O)NC3=O)C2)cn1
InChIInChI=1S/C16H21N5O3/c1-20-7-10(6-17-20)11-5-12(11)15(23)21-4-2-3-9(8-21)13-14(22)19-16(24)18-13/h6-7,9,11-13H,2-5,8H2,1H3,(H2,18,19,22,24)
InChIKeyNDRJWFXFQQPHOI-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.03
Rot. Bonds3

About 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione

5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 75526383) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID75526383
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCn1cc(C2CC2C(=O)N2CCCC(C3NC(=O)NC3=O)C2)cn1
InChIInChI=1S/C16H21N5O3/c1-20-7-10(6-17-20)11-5-12(11)15(23)21-4-2-3-9(8-21)13-14(22)19-16(24)18-13/h6-7,9,11-13H,2-5,8H2,1H3,(H2,18,19,22,24)
InChIKeyNDRJWFXFQQPHOI-UHFFFAOYSA-N
XLogP-0.03
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 75526383) is 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione is Cn1cc(C2CC2C(=O)N2CCCC(C3NC(=O)NC3=O)C2)cn1.
What is the InChIKey of 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is NDRJWFXFQQPHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20-7-10(6-17-20)11-5-12(11)15(23)21-4-2-3-9(8-21)13-14(22)19-16(24)18-13/h6-7,9,11-13H,2-5,8H2,1H3,(H2,18,19,22,24).
What are the key properties of 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione?
5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 75526383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).