N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C20H29N5O3 — CID 78807035

IUPACN-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H29N5O3/c26-17(22-16-10-13-21-25(16)15-7-2-1-3-8-15)9-6-14-24-18(27)20(23-19(24)28)11-4-5-12-20/h10,13,15H,1-9,11-12,14H2,(H,22,26)(H,23,28)
InChIKeyRXGMPPXNWHYIKG-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.97
Rot. Bonds6

About N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 78807035) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID78807035
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C20H29N5O3/c26-17(22-16-10-13-21-25(16)15-7-2-1-3-8-15)9-6-14-24-18(27)20(23-19(24)28)11-4-5-12-20/h10,13,15H,1-9,11-12,14H2,(H,22,26)(H,23,28)
InChIKeyRXGMPPXNWHYIKG-UHFFFAOYSA-N
XLogP2.97
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.97
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 N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 78807035) is N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is RXGMPPXNWHYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-17(22-16-10-13-21-25(16)15-7-2-1-3-8-15)9-6-14-24-18(27)20(23-19(24)28)11-4-5-12-20/h10,13,15H,1-9,11-12,14H2,(H,22,26)(H,23,28).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 387.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 78807035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).