2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H32N4O — CID 70731577

IUPAC2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ccnn1CCN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H32N4O/c1-17-8-11-21-24(17)14-13-22-12-4-9-20(15-22)10-7-19(25)23(16-20)18-5-2-3-6-18/h8,11,18H,2-7,9-10,12-16H2,1H3
InChIKeyMYERKZMUABYWOJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.84
Rot. Bonds4

About 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70731577) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70731577
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ccnn1CCN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1
InChIInChI=1S/C20H32N4O/c1-17-8-11-21-24(17)14-13-22-12-4-9-20(15-22)10-7-19(25)23(16-20)18-5-2-3-6-18/h8,11,18H,2-7,9-10,12-16H2,1H3
InChIKeyMYERKZMUABYWOJ-UHFFFAOYSA-N
XLogP2.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70731577) is 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1ccnn1CCN1CCCC2(CCC(=O)N(C3CCCC3)C2)C1.
What is the InChIKey of 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MYERKZMUABYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-8-11-21-24(17)14-13-22-12-4-9-20(15-22)10-7-19(25)23(16-20)18-5-2-3-6-18/h8,11,18H,2-7,9-10,12-16H2,1H3.
What are the key properties of 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[2-(5-methylpyrazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70731577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).