3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H23N5O3 — CID 30183730

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-11(2)21-12(5-9-17-21)18-13(22)6-10-20-14(23)16(19-15(20)24)7-3-4-8-16/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyNBCWCTWLTKUXGV-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.66
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30183730) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30183730
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H23N5O3/c1-11(2)21-12(5-9-17-21)18-13(22)6-10-20-14(23)16(19-15(20)24)7-3-4-8-16/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,18,22)(H,19,24)
InChIKeyNBCWCTWLTKUXGV-UHFFFAOYSA-N
XLogP1.66
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
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CID 24790288
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235
N-(2-cyclopentylpyrazol-3-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 42906833
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437800
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
CID 33177226
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 35966327
(3S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962530
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30183730) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is NBCWCTWLTKUXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11(2)21-12(5-9-17-21)18-13(22)6-10-20-14(23)16(19-15(20)24)7-3-4-8-16/h5,9,11H,3-4,6-8,10H2,1-2H3,(H,18,22)(H,19,24).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30183730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).