2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 70746183

IUPAC2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)CCn3cc(C)cn3)C2)CCC1=O
InChIInChI=1S/C20H32N4O2/c1-3-4-10-22-15-20(9-6-18(22)25)8-5-11-23(16-20)19(26)7-12-24-14-17(2)13-21-24/h13-14H,3-12,15-16H2,1-2H3
InChIKeyUGOTZECOLVSYKR-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.61
Rot. Bonds6

About 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70746183) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70746183
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)CCn3cc(C)cn3)C2)CCC1=O
InChIInChI=1S/C20H32N4O2/c1-3-4-10-22-15-20(9-6-18(22)25)8-5-11-23(16-20)19(26)7-12-24-14-17(2)13-21-24/h13-14H,3-12,15-16H2,1-2H3
InChIKeyUGOTZECOLVSYKR-UHFFFAOYSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70746183) is 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)CCn3cc(C)cn3)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UGOTZECOLVSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-4-10-22-15-20(9-6-18(22)25)8-5-11-23(16-20)19(26)7-12-24-14-17(2)13-21-24/h13-14H,3-12,15-16H2,1-2H3.
What are the key properties of 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70746183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).