2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H28N4O2 — CID 72907096

IUPAC2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3
InChIKeyTWSIYLGNLMGORP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.21
Rot. Bonds2

About 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72907096) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72907096
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1
InChIInChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3
InChIKeyTWSIYLGNLMGORP-UHFFFAOYSA-N
XLogP2.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72907096) is 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cn1ccc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1.
What is the InChIKey of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is TWSIYLGNLMGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-7-16(20-21)18(25)22-12-9-19(10-13-22)8-6-17(24)23(14-19)15-4-2-3-5-15/h7,11,15H,2-6,8-10,12-14H2,1H3.
What are the key properties of 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.46 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72907096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).