2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide

C20H31N5O2 — CID 70753964

IUPAC2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C20H31N5O2/c1-23-11-7-17(22-23)21-18(26)14-24-12-9-20(10-13-24)8-6-19(27)25(15-20)16-4-2-3-5-16/h7,11,16H,2-6,8-10,12-15H2,1H3,(H,21,22,26)
InChIKeyGQHHFAIFELKRRV-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide

2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 70753964) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID70753964
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C20H31N5O2/c1-23-11-7-17(22-23)21-18(26)14-24-12-9-20(10-13-24)8-6-19(27)25(15-20)16-4-2-3-5-16/h7,11,16H,2-6,8-10,12-15H2,1H3,(H,21,22,26)
InChIKeyGQHHFAIFELKRRV-UHFFFAOYSA-N
XLogP2.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide (CID 70753964) is 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1.
What is the InChIKey of 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GQHHFAIFELKRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-23-11-7-17(22-23)21-18(26)14-24-12-9-20(10-13-24)8-6-19(27)25(15-20)16-4-2-3-5-16/h7,11,16H,2-6,8-10,12-15H2,1H3,(H,21,22,26).
What are the key properties of 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 70753964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).